(3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide

C14H16F3N3O2S — CID 124569159

IUPAC(3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)cs1)[C@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C14H16F3N3O2S/c15-14(16,17)10-7-23-13(18-10)19-11(21)9-2-1-5-20(6-9)12(22)8-3-4-8/h7-9H,1-6H2,(H,18,19,21)/t9-/m0/s1
InChIKeyHMLLHQVGGICARZ-VIFPVBQESA-N
MW347.36 g/mol
LogP2.75
Rot. Bonds3

About (3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide

(3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide (PubChem CID 124569159) has the molecular formula C14H16F3N3O2S and a molecular weight of 347.36 g/mol. Its IUPAC name is (3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
PubChem CID124569159
Molecular FormulaC14H16F3N3O2S
Molecular Weight347.36 g/mol
Exact Mass347.09
IUPAC Name(3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)cs1)[C@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C14H16F3N3O2S/c15-14(16,17)10-7-23-13(18-10)19-11(21)9-2-1-5-20(6-9)12(22)8-3-4-8/h7-9H,1-6H2,(H,18,19,21)/t9-/m0/s1
InChIKeyHMLLHQVGGICARZ-VIFPVBQESA-N
XLogP2.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 86922889
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75435929
(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118220
tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 47016276
(3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 99618269
1-(1-piperidin-1-ylpropan-2-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 78874909
1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51090788
1-(naphthalene-1-carbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 78863914
(3R)-1-(cyclopropanecarbonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94819627
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 60529706
1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122004458
1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 47745330

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide (CID 124569159) is (3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide is O=C(Nc1nc(C(F)(F)F)cs1)[C@H]1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of (3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is HMLLHQVGGICARZ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16F3N3O2S/c15-14(16,17)10-7-23-13(18-10)19-11(21)9-2-1-5-20(6-9)12(22)8-3-4-8/h7-9H,1-6H2,(H,18,19,21)/t9-/m0/s1.
What are the key properties of (3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
(3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 347.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 124569159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).