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

C14H12N4S — CID 59177681

IUPACN-methyl-5-(2-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESCNc1ncc(-c2ccnc(-c3ccccc3)n2)s1
InChIInChI=1S/C14H12N4S/c1-15-14-17-9-12(19-14)11-7-8-16-13(18-11)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,17)
InChIKeyWHYNVUBQUGDSTI-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.31
Rot. Bonds3

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

N-methyl-5-(2-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 59177681) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is N-methyl-5-(2-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(2-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine
PubChem CID59177681
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC NameN-methyl-5-(2-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESCNc1ncc(-c2ccnc(-c3ccccc3)n2)s1
InChIInChI=1S/C14H12N4S/c1-15-14-17-9-12(19-14)11-7-8-16-13(18-11)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,17)
InChIKeyWHYNVUBQUGDSTI-UHFFFAOYSA-N
XLogP3.31
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-(2-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine (CID 59177681) is N-methyl-5-(2-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-(2-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-(2-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine is CNc1ncc(-c2ccnc(-c3ccccc3)n2)s1.
What is the InChIKey of N-methyl-5-(2-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is WHYNVUBQUGDSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c1-15-14-17-9-12(19-14)11-7-8-16-13(18-11)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,17).
What are the key properties of N-methyl-5-(2-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine?
N-methyl-5-(2-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 268.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 59177681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).