2-[3-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide

C19H20N6O2S — CID 72911802

IUPAC2-[3-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(N2CCCC(C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)n1
InChIInChI=1S/C19H20N6O2S/c20-17(26)16-11-28-19(23-16)25-9-1-2-13(10-25)18(27)22-14-5-3-12(4-6-14)15-7-8-21-24-15/h3-8,11,13H,1-2,9-10H2,(H2,20,26)(H,21,24)(H,22,27)
InChIKeyPHTLEXMBODNYIJ-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.49
Rot. Bonds5

About 2-[3-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide

2-[3-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 72911802) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-[3-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID72911802
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name2-[3-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(N2CCCC(C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)n1
InChIInChI=1S/C19H20N6O2S/c20-17(26)16-11-28-19(23-16)25-9-1-2-13(10-25)18(27)22-14-5-3-12(4-6-14)15-7-8-21-24-15/h3-8,11,13H,1-2,9-10H2,(H2,20,26)(H,21,24)(H,22,27)
InChIKeyPHTLEXMBODNYIJ-UHFFFAOYSA-N
XLogP2.49
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 42519609
3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119399799
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 72847310
N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 43713244
2-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95551992
1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 45229387
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 72892284
N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 45195369
(3R)-N-(4-fluorophenyl)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
CID 7288052
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide
CID 122161194
(3S)-N-(4-fluorophenyl)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
CID 7288049

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide (CID 72911802) is 2-[3-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(N2CCCC(C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)n1.
What is the InChIKey of 2-[3-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is PHTLEXMBODNYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c20-17(26)16-11-28-19(23-16)25-9-1-2-13(10-25)18(27)22-14-5-3-12(4-6-14)15-7-8-21-24-15/h3-8,11,13H,1-2,9-10H2,(H2,20,26)(H,21,24)(H,22,27).
What are the key properties of 2-[3-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
2-[3-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 396.48 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72911802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).