N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide

C21H21N5O2S — CID 55970593

IUPACN-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cn2)C1
InChIInChI=1S/C21H21N5O2S/c22-19(27)15-7-4-10-26(13-15)18-9-8-16(11-23-18)25-20(28)17-12-24-21(29-17)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,15H,4,7,10,13H2,(H2,22,27)(H,25,28)
InChIKeyTVWPQVQTXOGNQQ-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.16
Rot. Bonds5

About N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 55970593) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID55970593
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC NameN-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cn2)C1
InChIInChI=1S/C21H21N5O2S/c22-19(27)15-7-4-10-26(13-15)18-9-8-16(11-23-18)25-20(28)17-12-24-21(29-17)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,15H,4,7,10,13H2,(H2,22,27)(H,25,28)
InChIKeyTVWPQVQTXOGNQQ-UHFFFAOYSA-N
XLogP3.16
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700999
1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86883409
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55701198
1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86988880
1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
1-[5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970456
1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701002
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55968536
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700880
6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 55701075

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 55970593) is N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide is NC(=O)C1CCCN(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cn2)C1.
What is the InChIKey of N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is TVWPQVQTXOGNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c22-19(27)15-7-4-10-26(13-15)18-9-8-16(11-23-18)25-20(28)17-12-24-21(29-17)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,15H,4,7,10,13H2,(H2,22,27)(H,25,28).
What are the key properties of N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55970593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).