4-(4-fluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide

C16H15FN4OS — CID 86698402

IUPAC4-(4-fluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(N)=O)C(C)(c2ccc(F)cc2)N=C(c2nccs2)N1
InChIInChI=1S/C16H15FN4OS/c1-9-12(13(18)22)16(2,10-3-5-11(17)6-4-10)21-14(20-9)15-19-7-8-23-15/h3-8H,1-2H3,(H2,18,22)(H,20,21)
InChIKeyZTCNWKZXBZRPOO-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.31
Rot. Bonds3

About 4-(4-fluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide

4-(4-fluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide (PubChem CID 86698402) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide
PubChem CID86698402
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name4-(4-fluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(N)=O)C(C)(c2ccc(F)cc2)N=C(c2nccs2)N1
InChIInChI=1S/C16H15FN4OS/c1-9-12(13(18)22)16(2,10-3-5-11(17)6-4-10)21-14(20-9)15-19-7-8-23-15/h3-8H,1-2H3,(H2,18,22)(H,20,21)
InChIKeyZTCNWKZXBZRPOO-UHFFFAOYSA-N
XLogP2.31
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide (CID 86698402) is 4-(4-fluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide is CC1=C(C(N)=O)C(C)(c2ccc(F)cc2)N=C(c2nccs2)N1.
What is the InChIKey of 4-(4-fluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide?
The InChIKey is ZTCNWKZXBZRPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-9-12(13(18)22)16(2,10-3-5-11(17)6-4-10)21-14(20-9)15-19-7-8-23-15/h3-8H,1-2H3,(H2,18,22)(H,20,21).
What are the key properties of 4-(4-fluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide?
4-(4-fluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 86698402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).