N-(2-chloro-5-methoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine

C16H13ClN4OS2 — CID 44577194

IUPACN-(2-chloro-5-methoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Cl)c(Nc2nc(-c3c(C)nc4sccn34)cs2)c1
InChIInChI=1S/C16H13ClN4OS2/c1-9-14(21-5-6-23-16(21)18-9)13-8-24-15(20-13)19-12-7-10(22-2)3-4-11(12)17/h3-8H,1-2H3,(H,19,20)
InChIKeyYDBQLQJTMYYSQY-UHFFFAOYSA-N
MW376.89 g/mol
LogP5.23
Rot. Bonds4

About N-(2-chloro-5-methoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine

N-(2-chloro-5-methoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 44577194) has the molecular formula C16H13ClN4OS2 and a molecular weight of 376.89 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID44577194
Molecular FormulaC16H13ClN4OS2
Molecular Weight376.89 g/mol
Exact Mass376.02
IUPAC NameN-(2-chloro-5-methoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Cl)c(Nc2nc(-c3c(C)nc4sccn34)cs2)c1
InChIInChI=1S/C16H13ClN4OS2/c1-9-14(21-5-6-23-16(21)18-9)13-8-24-15(20-13)19-12-7-10(22-2)3-4-11(12)17/h3-8H,1-2H3,(H,19,20)
InChIKeyYDBQLQJTMYYSQY-UHFFFAOYSA-N
XLogP5.23
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
CID 1255043
N-(4-bromophenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
CID 1186937
4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 2877192
N-(2-bromo-4-methoxyphenyl)-4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 57490490
4-N,4-N-dimethyl-1-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1068714
N-(2,6-dibromo-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 2877303
N-(2-chlorophenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide
CID 126478306
N-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 1144673
4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine
CID 58910662
6-chloro-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 16605016
4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 44603134
N-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 58496015

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine (CID 44577194) is N-(2-chloro-5-methoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine is COc1ccc(Cl)c(Nc2nc(-c3c(C)nc4sccn34)cs2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is YDBQLQJTMYYSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS2/c1-9-14(21-5-6-23-16(21)18-9)13-8-24-15(20-13)19-12-7-10(22-2)3-4-11(12)17/h3-8H,1-2H3,(H,19,20).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
N-(2-chloro-5-methoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 376.89 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 44577194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).