6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide

C15H12N4O2S — CID 91816331

IUPAC6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(OCc2ccccc2)ncn1
InChIInChI=1S/C15H12N4O2S/c20-14(19-15-16-6-7-22-15)12-8-13(18-10-17-12)21-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,16,19,20)
InChIKeyHAYNZAOHJSATHA-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.76
Rot. Bonds5

About 6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide

6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide (PubChem CID 91816331) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
PubChem CID91816331
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(OCc2ccccc2)ncn1
InChIInChI=1S/C15H12N4O2S/c20-14(19-15-16-6-7-22-15)12-8-13(18-10-17-12)21-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,16,19,20)
InChIKeyHAYNZAOHJSATHA-UHFFFAOYSA-N
XLogP2.76
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167926
N-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167812
6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide
CID 121167975
N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167810
N-(3-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167809
N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167837
methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167799
ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167835
N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167981
N-(4-chloro-3-nitrophenyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167939
1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide
CID 59513975
N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide
CID 91816344

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide (CID 91816331) is 6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide is O=C(Nc1nccs1)c1cc(OCc2ccccc2)ncn1.
What is the InChIKey of 6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The InChIKey is HAYNZAOHJSATHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c20-14(19-15-16-6-7-22-15)12-8-13(18-10-17-12)21-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,16,19,20).
What are the key properties of 6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 91816331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).