N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide

C22H24N4O2S2 — CID 112804740

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide
SMILESCc1cn2c(CN(C)C(=O)c3ccccc3SCc3c(C)noc3C)c(C)nc2s1
InChIInChI=1S/C22H24N4O2S2/c1-13-10-26-19(15(3)23-22(26)30-13)11-25(5)21(27)17-8-6-7-9-20(17)29-12-18-14(2)24-28-16(18)4/h6-10H,11-12H2,1-5H3
InChIKeyZUCQLZYNEWSSAX-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.18
Rot. Bonds6

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide (PubChem CID 112804740) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide
PubChem CID112804740
Molecular FormulaC22H24N4O2S2
Molecular Weight440.59 g/mol
Exact Mass440.13
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide
SMILESCc1cn2c(CN(C)C(=O)c3ccccc3SCc3c(C)noc3C)c(C)nc2s1
InChIInChI=1S/C22H24N4O2S2/c1-13-10-26-19(15(3)23-22(26)30-13)11-25(5)21(27)17-8-6-7-9-20(17)29-12-18-14(2)24-28-16(18)4/h6-10H,11-12H2,1-5H3
InChIKeyZUCQLZYNEWSSAX-UHFFFAOYSA-N
XLogP5.18
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 51148585
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 38008055
N-[2-(cyclopropylmethoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide
CID 71856433
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 60959336
N-[3-(dimethylamino)propyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 78781057
2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide
CID 112804858
4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide
CID 112803432
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378051
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 75392468
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 47005068
N-[(2-bromophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylpyridine-3-carboxamide
CID 35131480
N-[4-(dimethylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 78776573

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide (CID 112804740) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide is Cc1cn2c(CN(C)C(=O)c3ccccc3SCc3c(C)noc3C)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide?
The InChIKey is ZUCQLZYNEWSSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c1-13-10-26-19(15(3)23-22(26)30-13)11-25(5)21(27)17-8-6-7-9-20(17)29-12-18-14(2)24-28-16(18)4/h6-10H,11-12H2,1-5H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide has a molecular weight of 440.59 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide is sourced from PubChem (CID 112804740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).