N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

C17H17FN4OS — CID 97087861

IUPACN-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESC[C@@H](Cc1ccccc1F)NC(=O)c1cnc(-c2cnn(C)c2)s1
InChIInChI=1S/C17H17FN4OS/c1-11(7-12-5-3-4-6-14(12)18)21-16(23)15-9-19-17(24-15)13-8-20-22(2)10-13/h3-6,8-11H,7H2,1-2H3,(H,21,23)/t11-/m0/s1
InChIKeyYRJIFPQXKOFFEE-NSHDSACASA-N
MW344.42 g/mol
LogP3.04
Rot. Bonds5

About N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 97087861) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID97087861
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC NameN-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESC[C@@H](Cc1ccccc1F)NC(=O)c1cnc(-c2cnn(C)c2)s1
InChIInChI=1S/C17H17FN4OS/c1-11(7-12-5-3-4-6-14(12)18)21-16(23)15-9-19-17(24-15)13-8-20-22(2)10-13/h3-6,8-11H,7H2,1-2H3,(H,21,23)/t11-/m0/s1
InChIKeyYRJIFPQXKOFFEE-NSHDSACASA-N
XLogP3.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpyrazol-4-yl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-5-carboxamide
CID 99122315
N-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 111447555
2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 95331044
1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 97087851
1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 97087853
N-[4-(2-hydroxyethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 111118111
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 127310921
ethyl (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate
CID 97079223
N-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 71876502
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
N-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide
CID 47367907
methyl 3-(2,4-dimethoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]propanoate
CID 75396955

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 97087861) is N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is C[C@@H](Cc1ccccc1F)NC(=O)c1cnc(-c2cnn(C)c2)s1.
What is the InChIKey of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is YRJIFPQXKOFFEE-NSHDSACASA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-11(7-12-5-3-4-6-14(12)18)21-16(23)15-9-19-17(24-15)13-8-20-22(2)10-13/h3-6,8-11H,7H2,1-2H3,(H,21,23)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97087861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).