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

C16H13ClN4S2 — CID 991115

IUPACN-(3-chloro-2-methylphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1nc2sccn2c1-c1csc(Nc2cccc(Cl)c2C)n1
InChIInChI=1S/C16H13ClN4S2/c1-9-11(17)4-3-5-12(9)19-15-20-13(8-23-15)14-10(2)18-16-21(14)6-7-22-16/h3-8H,1-2H3,(H,19,20)
InChIKeySRDFJNLSICCYDU-UHFFFAOYSA-N
MW360.90 g/mol
LogP5.53
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 991115) has the molecular formula C16H13ClN4S2 and a molecular weight of 360.90 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID991115
Molecular FormulaC16H13ClN4S2
Molecular Weight360.90 g/mol
Exact Mass360.03
IUPAC NameN-(3-chloro-2-methylphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1nc2sccn2c1-c1csc(Nc2cccc(Cl)c2C)n1
InChIInChI=1S/C16H13ClN4S2/c1-9-11(17)4-3-5-12(9)19-15-20-13(8-23-15)14-10(2)18-16-21(14)6-7-22-16/h3-8H,1-2H3,(H,19,20)
InChIKeySRDFJNLSICCYDU-UHFFFAOYSA-N
XLogP5.53
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.90
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(6-Methyl-imidazo[2,1-b]thiazol-5-yl)-thiazol-2-yl]-(4-methyl-pyridin-2-yl)-amine
CID 644740
6-(3-Chlorophenyl)-2-methylimidazo(2,1-b)(1,3)thiazole
CID 868206
2-N,2-N-dimethyl-5-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]pyridine-2,5-diamine
CID 76318001
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-phenylethanamine
CID 142505357
2-(4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 142505364
N-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
CID 800766
2-(2-Chlorobenzyl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 946818
5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 2998107
5-[[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole
CID 2999395
2-Benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole
CID 15991404
2-(2-Chlorobenzyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole
CID 15991410
2-[(E)-[6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 24204554

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine (CID 991115) is N-(3-chloro-2-methylphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine is Cc1nc2sccn2c1-c1csc(Nc2cccc(Cl)c2C)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is SRDFJNLSICCYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4S2/c1-9-11(17)4-3-5-12(9)19-15-20-13(8-23-15)14-10(2)18-16-21(14)6-7-22-16/h3-8H,1-2H3,(H,19,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
N-(3-chloro-2-methylphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 360.90 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 991115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).