3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide

C14H18N6O2S — CID 154863910

IUPAC3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
SMILESNC(=O)CC1CCCN(C(=O)Nc2cn[nH]c2-c2nccs2)C1
InChIInChI=1S/C14H18N6O2S/c15-11(21)6-9-2-1-4-20(8-9)14(22)18-10-7-17-19-12(10)13-16-3-5-23-13/h3,5,7,9H,1-2,4,6,8H2,(H2,15,21)(H,17,19)(H,18,22)
InChIKeyYGCFHGATHURCTA-UHFFFAOYSA-N
MW334.41 g/mol
LogP1.65
Rot. Bonds4

About 3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide

3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide (PubChem CID 154863910) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
PubChem CID154863910
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
SMILESNC(=O)CC1CCCN(C(=O)Nc2cn[nH]c2-c2nccs2)C1
InChIInChI=1S/C14H18N6O2S/c15-11(21)6-9-2-1-4-20(8-9)14(22)18-10-7-17-19-12(10)13-16-3-5-23-13/h3,5,7,9H,1-2,4,6,8H2,(H2,15,21)(H,17,19)(H,18,22)
InChIKeyYGCFHGATHURCTA-UHFFFAOYSA-N
XLogP1.65
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide
CID 99703959
6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide
CID 154876348
4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
CID 154863935
5-cyclopropyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 166316233
(3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide
CID 99584331
2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide
CID 122159548
4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 167836082
(3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide
CID 99581180
(3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
CID 99715459
(3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 96522626
4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-5-carboxamide
CID 154876337
3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid
CID 107228275

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide (CID 154863910) is 3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide is NC(=O)CC1CCCN(C(=O)Nc2cn[nH]c2-c2nccs2)C1.
What is the InChIKey of 3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide?
The InChIKey is YGCFHGATHURCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c15-11(21)6-9-2-1-4-20(8-9)14(22)18-10-7-17-19-12(10)13-16-3-5-23-13/h3,5,7,9H,1-2,4,6,8H2,(H2,15,21)(H,17,19)(H,18,22).
What are the key properties of 3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide?
3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide has a molecular weight of 334.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 154863910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).