N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide

C16H21F3N4OS — CID 97145651

IUPACN-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NC[C@H](C)Cn2nc(C)cc2C(F)(F)F)cs1
InChIInChI=1S/C16H21F3N4OS/c1-4-5-14-21-12(9-25-14)15(24)20-7-10(2)8-23-13(16(17,18)19)6-11(3)22-23/h6,9-10H,4-5,7-8H2,1-3H3,(H,20,24)/t10-/m0/s1
InChIKeyLUUQUNSOFGKICC-JTQLQIEISA-N
MW374.43 g/mol
LogP3.69
Rot. Bonds7

About N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide

N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 97145651) has the molecular formula C16H21F3N4OS and a molecular weight of 374.43 g/mol. Its IUPAC name is N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID97145651
Molecular FormulaC16H21F3N4OS
Molecular Weight374.43 g/mol
Exact Mass374.14
IUPAC NameN-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NC[C@H](C)Cn2nc(C)cc2C(F)(F)F)cs1
InChIInChI=1S/C16H21F3N4OS/c1-4-5-14-21-12(9-25-14)15(24)20-7-10(2)8-23-13(16(17,18)19)6-11(3)22-23/h6,9-10H,4-5,7-8H2,1-3H3,(H,20,24)/t10-/m0/s1
InChIKeyLUUQUNSOFGKICC-JTQLQIEISA-N
XLogP3.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45827587
N-isopropyl-2-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 50962766
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50973597
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 50974363
1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084055
(2-Cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 56779825
(2,5-Dimethylpyrazol-3-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 56819387
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-isopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70712275
N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 72917099
2-[1-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-piperidinyl]-4-thiazolecarboxylic acid
CID 66601457
2-{1-[2-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-piperidin-4-yl}-thiazole-4-carboxylic acid hydroxyamide
CID 86703091
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-2-(pyrazin-2-yl)thiazole-4-carboxamide
CID 49669614

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide (CID 97145651) is N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)NC[C@H](C)Cn2nc(C)cc2C(F)(F)F)cs1.
What is the InChIKey of N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is LUUQUNSOFGKICC-JTQLQIEISA-N. The full InChI is InChI=1S/C16H21F3N4OS/c1-4-5-14-21-12(9-25-14)15(24)20-7-10(2)8-23-13(16(17,18)19)6-11(3)22-23/h6,9-10H,4-5,7-8H2,1-3H3,(H,20,24)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 374.43 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97145651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).