N-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C20H24N4O2S2 — CID 55517514

IUPACN-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCOCCn1c(SCc2csc(N(C(C)=O)c3ccccc3)n2)nc(C)c1C
InChIInChI=1S/C20H24N4O2S2/c1-14-15(2)23(10-11-26-4)19(21-14)27-12-17-13-28-20(22-17)24(16(3)25)18-8-6-5-7-9-18/h5-9,13H,10-12H2,1-4H3
InChIKeyYYLRIJZOZPDIJJ-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.58
Rot. Bonds8

About N-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide

N-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 55517514) has the molecular formula C20H24N4O2S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID55517514
Molecular FormulaC20H24N4O2S2
Molecular Weight416.57 g/mol
Exact Mass416.13
IUPAC NameN-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCOCCn1c(SCc2csc(N(C(C)=O)c3ccccc3)n2)nc(C)c1C
InChIInChI=1S/C20H24N4O2S2/c1-14-15(2)23(10-11-26-4)19(21-14)27-12-17-13-28-20(22-17)24(16(3)25)18-8-6-5-7-9-18/h5-9,13H,10-12H2,1-4H3
InChIKeyYYLRIJZOZPDIJJ-UHFFFAOYSA-N
XLogP4.58
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 4823781
N-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 16600399
N-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 16538515
N-(3-chlorophenyl)-N-[4-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 25390087
N-[4-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 31275750
N-phenyl-N-[4-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 35064397
N-[4-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 31456717
N-[4-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 4825410
N-(3,4-dimethylphenyl)-N-[4-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 78759435
N-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 16535469
N-(2-cyanoethyl)-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 51329460
N-[4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 112778447

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 55517514) is N-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide is COCCn1c(SCc2csc(N(C(C)=O)c3ccccc3)n2)nc(C)c1C.
What is the InChIKey of N-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is YYLRIJZOZPDIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S2/c1-14-15(2)23(10-11-26-4)19(21-14)27-12-17-13-28-20(22-17)24(16(3)25)18-8-6-5-7-9-18/h5-9,13H,10-12H2,1-4H3.
What are the key properties of N-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
N-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 416.57 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 55517514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).