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

C15H13FN4S2 — CID 143376838

IUPAC4-(4-fluorophenyl)-N-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(F)cc2)c(-c2ccnc(SC)n2)s1
InChIInChI=1S/C15H13FN4S2/c1-17-14-20-12(9-3-5-10(16)6-4-9)13(22-14)11-7-8-18-15(19-11)21-2/h3-8H,1-2H3,(H,17,20)
InChIKeyMPMHRSMFBYRBIP-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.17
Rot. Bonds4

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

4-(4-fluorophenyl)-N-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 143376838) has the molecular formula C15H13FN4S2 and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine
PubChem CID143376838
Molecular FormulaC15H13FN4S2
Molecular Weight332.43 g/mol
Exact Mass332.06
IUPAC Name4-(4-fluorophenyl)-N-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(F)cc2)c(-c2ccnc(SC)n2)s1
InChIInChI=1S/C15H13FN4S2/c1-17-14-20-12(9-3-5-10(16)6-4-9)13(22-14)11-7-8-18-15(19-11)21-2/h3-8H,1-2H3,(H,17,20)
InChIKeyMPMHRSMFBYRBIP-UHFFFAOYSA-N
XLogP4.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 15603563
2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole
CID 15603902
4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxypyrimidine;4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methylsulfanylpyrimidine
CID 160935002
4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole
CID 15604125
4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole
CID 15603904
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine
CID 143376446
4-[5-(4-fluorophenyl)-3-phenyltriazol-4-yl]-2-methylsulfanylpyrimidine
CID 59068560
4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 15604480
5-(2-chloropyrimidin-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 117273149
3-chloro-6-[3-(4-fluorophenyl)-4-(2-methylsulfanylpyrimidin-4-yl)pyrazol-1-yl]pyridazine
CID 23080608
N,4-dimethyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 143143329
4-(4,5-dimethylthiophen-2-yl)-2-methylsulfanylpyrimidine
CID 58094768

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine (CID 143376838) is 4-(4-fluorophenyl)-N-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine is CNc1nc(-c2ccc(F)cc2)c(-c2ccnc(SC)n2)s1.
What is the InChIKey of 4-(4-fluorophenyl)-N-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is MPMHRSMFBYRBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4S2/c1-17-14-20-12(9-3-5-10(16)6-4-9)13(22-14)11-7-8-18-15(19-11)21-2/h3-8H,1-2H3,(H,17,20).
What are the key properties of 4-(4-fluorophenyl)-N-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-N-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 332.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 143376838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).