4-(5-methyl-1,3-thiazol-2-yl)-N-(1-phenylimidazol-4-yl)pyrimidin-2-amine

C17H14N6S — CID 134605349

IUPAC4-(5-methyl-1,3-thiazol-2-yl)-N-(1-phenylimidazol-4-yl)pyrimidin-2-amine
SMILESCc1cnc(-c2ccnc(Nc3cn(-c4ccccc4)cn3)n2)s1
InChIInChI=1S/C17H14N6S/c1-12-9-19-16(24-12)14-7-8-18-17(21-14)22-15-10-23(11-20-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,21,22)
InChIKeyCDIVSABLSXPHKU-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.84
Rot. Bonds4

About 4-(5-methyl-1,3-thiazol-2-yl)-N-(1-phenylimidazol-4-yl)pyrimidin-2-amine

4-(5-methyl-1,3-thiazol-2-yl)-N-(1-phenylimidazol-4-yl)pyrimidin-2-amine (PubChem CID 134605349) has the molecular formula C17H14N6S and a molecular weight of 334.41 g/mol. Its IUPAC name is 4-(5-methyl-1,3-thiazol-2-yl)-N-(1-phenylimidazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-methyl-1,3-thiazol-2-yl)-N-(1-phenylimidazol-4-yl)pyrimidin-2-amine
PubChem CID134605349
Molecular FormulaC17H14N6S
Molecular Weight334.41 g/mol
Exact Mass334.10
IUPAC Name4-(5-methyl-1,3-thiazol-2-yl)-N-(1-phenylimidazol-4-yl)pyrimidin-2-amine
SMILESCc1cnc(-c2ccnc(Nc3cn(-c4ccccc4)cn3)n2)s1
InChIInChI=1S/C17H14N6S/c1-12-9-19-16(24-12)14-7-8-18-17(21-14)22-15-10-23(11-20-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,21,22)
InChIKeyCDIVSABLSXPHKU-UHFFFAOYSA-N
XLogP3.84
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3-thiazol-2-yl)-N-(1-phenylimidazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5-methyl-1,3-thiazol-2-yl)-N-(1-phenylimidazol-4-yl)pyrimidin-2-amine (CID 134605349) is 4-(5-methyl-1,3-thiazol-2-yl)-N-(1-phenylimidazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-methyl-1,3-thiazol-2-yl)-N-(1-phenylimidazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-methyl-1,3-thiazol-2-yl)-N-(1-phenylimidazol-4-yl)pyrimidin-2-amine is Cc1cnc(-c2ccnc(Nc3cn(-c4ccccc4)cn3)n2)s1.
What is the InChIKey of 4-(5-methyl-1,3-thiazol-2-yl)-N-(1-phenylimidazol-4-yl)pyrimidin-2-amine?
The InChIKey is CDIVSABLSXPHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6S/c1-12-9-19-16(24-12)14-7-8-18-17(21-14)22-15-10-23(11-20-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,21,22).
What are the key properties of 4-(5-methyl-1,3-thiazol-2-yl)-N-(1-phenylimidazol-4-yl)pyrimidin-2-amine?
4-(5-methyl-1,3-thiazol-2-yl)-N-(1-phenylimidazol-4-yl)pyrimidin-2-amine has a molecular weight of 334.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3-thiazol-2-yl)-N-(1-phenylimidazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 134605349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).