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

C17H14ClN5S — CID 57490437

IUPACN-(4-chlorophenyl)-4-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
SMILESCCc1nc2ncccn2c1-c1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H14ClN5S/c1-2-13-15(23-9-3-8-19-16(23)21-13)14-10-24-17(22-14)20-12-6-4-11(18)5-7-12/h3-10H,2H2,1H3,(H,20,22)
InChIKeyBZAJYKSUEMFDAV-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.81
Rot. Bonds4

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

N-(4-chlorophenyl)-4-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine (PubChem CID 57490437) has the molecular formula C17H14ClN5S and a molecular weight of 355.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
PubChem CID57490437
Molecular FormulaC17H14ClN5S
Molecular Weight355.85 g/mol
Exact Mass355.07
IUPAC NameN-(4-chlorophenyl)-4-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
SMILESCCc1nc2ncccn2c1-c1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H14ClN5S/c1-2-13-15(23-9-3-8-19-16(23)21-13)14-10-24-17(22-14)20-12-6-4-11(18)5-7-12/h3-10H,2H2,1H3,(H,20,22)
InChIKeyBZAJYKSUEMFDAV-UHFFFAOYSA-N
XLogP4.81
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.81
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-ethylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine (CID 57490437) is N-(4-chlorophenyl)-4-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine is CCc1nc2ncccn2c1-c1csc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-4-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is BZAJYKSUEMFDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5S/c1-2-13-15(23-9-3-8-19-16(23)21-13)14-10-24-17(22-14)20-12-6-4-11(18)5-7-12/h3-10H,2H2,1H3,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-4-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
N-(4-chlorophenyl)-4-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 355.85 g/mol, XLogP of 4.81, 4 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-ethylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 57490437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).