N-(4-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine

C16H12ClN5S — CID 1255057

IUPACN-(4-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc2ncccn2c1-c1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H12ClN5S/c1-10-14(22-8-2-7-18-15(22)19-10)13-9-23-16(21-13)20-12-5-3-11(17)4-6-12/h2-9H,1H3,(H,20,21)
InChIKeyNAIFKGCRLXUVSL-UHFFFAOYSA-N
MW341.83 g/mol
LogP4.56
Rot. Bonds3

About N-(4-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine

N-(4-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine (PubChem CID 1255057) has the molecular formula C16H12ClN5S and a molecular weight of 341.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
PubChem CID1255057
Molecular FormulaC16H12ClN5S
Molecular Weight341.83 g/mol
Exact Mass341.05
IUPAC NameN-(4-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc2ncccn2c1-c1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H12ClN5S/c1-10-14(22-8-2-7-18-15(22)19-10)13-9-23-16(21-13)20-12-5-3-11(17)4-6-12/h2-9H,1H3,(H,20,21)
InChIKeyNAIFKGCRLXUVSL-UHFFFAOYSA-N
XLogP4.56
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine (CID 1255057) is N-(4-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine is Cc1nc2ncccn2c1-c1csc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is NAIFKGCRLXUVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5S/c1-10-14(22-8-2-7-18-15(22)19-10)13-9-23-16(21-13)20-12-5-3-11(17)4-6-12/h2-9H,1H3,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
N-(4-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 341.83 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 1255057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).