N,N-dimethyl-2-[4-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

C24H24N4O2S3 — CID 43071638

IUPACN,N-dimethyl-2-[4-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1-n1c(SCc2csc(CC(=O)N(C)C)n2)nc2sc3c(c2c1=O)CCC3
InChIInChI=1S/C24H24N4O2S3/c1-14-7-4-5-9-17(14)28-23(30)21-16-8-6-10-18(16)33-22(21)26-24(28)32-13-15-12-31-19(25-15)11-20(29)27(2)3/h4-5,7,9,12H,6,8,10-11,13H2,1-3H3
InChIKeyXQLMHDXOBNIZQN-UHFFFAOYSA-N
MW496.68 g/mol
LogP4.62
Rot. Bonds6

About N,N-dimethyl-2-[4-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

N,N-dimethyl-2-[4-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 43071638) has the molecular formula C24H24N4O2S3 and a molecular weight of 496.68 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID43071638
Molecular FormulaC24H24N4O2S3
Molecular Weight496.68 g/mol
Exact Mass496.11
IUPAC NameN,N-dimethyl-2-[4-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1-n1c(SCc2csc(CC(=O)N(C)C)n2)nc2sc3c(c2c1=O)CCC3
InChIInChI=1S/C24H24N4O2S3/c1-14-7-4-5-9-17(14)28-23(30)21-16-8-6-10-18(16)33-22(21)26-24(28)32-13-15-12-31-19(25-15)11-20(29)27(2)3/h4-5,7,9,12H,6,8,10-11,13H2,1-3H3
InChIKeyXQLMHDXOBNIZQN-UHFFFAOYSA-N
XLogP4.62
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.68
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-2-[4-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

N-methyl-2-[[4-(2-methylphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide
CID 8663370
2-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 2434624
N,N-dimethyl-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
CID 1235012
10-[(2-benzyl-1,3-thiazol-4-yl)methylsulfanyl]-11-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 38867264
5-[(4-tert-butylphenyl)methylsulfanyl]-4-(2-methylphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
CID 4536315
11-(2-methylphenyl)-10-propan-2-ylsulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 1341200
N-(4-methylphenyl)-2-[[3-(2-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 42794251
11-acetyl-4-(2-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 22424129
N-(1-cyanocyclopentyl)-2-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetamide
CID 42980174
6-amino-1,3-dimethyl-5-[2-[[3-(2-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
CID 2473313
3-(2-aminophenyl)-2-ethylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 46237745
methyl 4-[[3-(2-fluorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate
CID 4014384

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 43071638) is N,N-dimethyl-2-[4-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is Cc1ccccc1-n1c(SCc2csc(CC(=O)N(C)C)n2)nc2sc3c(c2c1=O)CCC3.
What is the InChIKey of N,N-dimethyl-2-[4-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XQLMHDXOBNIZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S3/c1-14-7-4-5-9-17(14)28-23(30)21-16-8-6-10-18(16)33-22(21)26-24(28)32-13-15-12-31-19(25-15)11-20(29)27(2)3/h4-5,7,9,12H,6,8,10-11,13H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
N,N-dimethyl-2-[4-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 496.68 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 43071638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).