N-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine

C19H17ClN4OS — CID 1144673

IUPACN-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Cl)cc1Nc1nc(-c2c(C)nc3cc(C)ccn23)cs1
InChIInChI=1S/C19H17ClN4OS/c1-11-6-7-24-17(8-11)21-12(2)18(24)15-10-26-19(23-15)22-14-9-13(20)4-5-16(14)25-3/h4-10H,1-3H3,(H,22,23)
InChIKeyKMAWOTVBUZVCHJ-UHFFFAOYSA-N
MW384.89 g/mol
LogP5.48
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine

N-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine (PubChem CID 1144673) has the molecular formula C19H17ClN4OS and a molecular weight of 384.89 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
PubChem CID1144673
Molecular FormulaC19H17ClN4OS
Molecular Weight384.89 g/mol
Exact Mass384.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Cl)cc1Nc1nc(-c2c(C)nc3cc(C)ccn23)cs1
InChIInChI=1S/C19H17ClN4OS/c1-11-6-7-24-17(8-11)21-12(2)18(24)15-10-26-19(23-15)22-14-9-13(20)4-5-16(14)25-3/h4-10H,1-3H3,(H,22,23)
InChIKeyKMAWOTVBUZVCHJ-UHFFFAOYSA-N
XLogP5.48
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.89
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine (CID 1144673) is N-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine is COc1ccc(Cl)cc1Nc1nc(-c2c(C)nc3cc(C)ccn23)cs1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is KMAWOTVBUZVCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4OS/c1-11-6-7-24-17(8-11)21-12(2)18(24)15-10-26-19(23-15)22-14-9-13(20)4-5-16(14)25-3/h4-10H,1-3H3,(H,22,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
N-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 384.89 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 1144673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).