N-(4-fluoro-3-methylphenyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide

C16H14FN5OS — CID 11709909

IUPACN-(4-fluoro-3-methylphenyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)c(C)c2)c(Nc2cncnc2)s1
InChIInChI=1S/C16H14FN5OS/c1-9-5-11(3-4-13(9)17)21-15(23)14-16(24-10(2)20-14)22-12-6-18-8-19-7-12/h3-8,22H,1-2H3,(H,21,23)
InChIKeyJUWXCOSXAVOPES-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.68
Rot. Bonds4

About N-(4-fluoro-3-methylphenyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide

N-(4-fluoro-3-methylphenyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 11709909) has the molecular formula C16H14FN5OS and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID11709909
Molecular FormulaC16H14FN5OS
Molecular Weight343.39 g/mol
Exact Mass343.09
IUPAC NameN-(4-fluoro-3-methylphenyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)c(C)c2)c(Nc2cncnc2)s1
InChIInChI=1S/C16H14FN5OS/c1-9-5-11(3-4-13(9)17)21-15(23)14-16(24-10(2)20-14)22-12-6-18-8-19-7-12/h3-8,22H,1-2H3,(H,21,23)
InChIKeyJUWXCOSXAVOPES-UHFFFAOYSA-N
XLogP3.68
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Thiazovivin
CID 46209426
2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 25113172
(S)-5-amino-N-(4-(3-aminopiperidin-1-yl)pyridin-3-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 44199470
4-Thiazolecarboxamide, N-[5-[[[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]amino]thioxomethyl]amino]-2-pyridinyl]-
CID 3010086
5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 58548384
N-{3-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-benzyl}-acetamide
CID 10361685
3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 127032072
N-{4-[2-(2-pyrimidinylamino)-1,3-thiazol-4-yl]phenyl}acetamide
CID 972289
N-[5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]carbamothioylamino]-2-pyridyl]thiazole-4-carboxamide
CID 3010085
3-Benzoylamino-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 11045566
N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
CID 11515445
2-methyl-N-(6-methyl-2-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 11558879

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide (CID 11709909) is N-(4-fluoro-3-methylphenyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(F)c(C)c2)c(Nc2cncnc2)s1.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is JUWXCOSXAVOPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5OS/c1-9-5-11(3-4-13(9)17)21-15(23)14-16(24-10(2)20-14)22-12-6-18-8-19-7-12/h3-8,22H,1-2H3,(H,21,23).
What are the key properties of N-(4-fluoro-3-methylphenyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide?
N-(4-fluoro-3-methylphenyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11709909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).