1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide

C15H17N5O2S — CID 90509743

IUPAC1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2csc(Nc3ccccn3)n2)CC1
InChIInChI=1S/C15H17N5O2S/c16-13(21)10-4-7-20(8-5-10)14(22)11-9-23-15(18-11)19-12-3-1-2-6-17-12/h1-3,6,9-10H,4-5,7-8H2,(H2,16,21)(H,17,18,19)
InChIKeyQDKRQTCDJDXADE-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.62
Rot. Bonds4

About 1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide

1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide (PubChem CID 90509743) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
PubChem CID90509743
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2csc(Nc3ccccn3)n2)CC1
InChIInChI=1S/C15H17N5O2S/c16-13(21)10-4-7-20(8-5-10)14(22)11-9-23-15(18-11)19-12-3-1-2-6-17-12/h1-3,6,9-10H,4-5,7-8H2,(H2,16,21)(H,17,18,19)
InChIKeyQDKRQTCDJDXADE-UHFFFAOYSA-N
XLogP1.62
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 1096741
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
CID 166210293
4-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 90509889
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
CID 90509886
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
CID 90509751
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
CID 90509872
ethyl 1-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 90509948
1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16915175
N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509772
2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 110270492
ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 3974706
N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509762

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide (CID 90509743) is 1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2csc(Nc3ccccn3)n2)CC1.
What is the InChIKey of 1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is QDKRQTCDJDXADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c16-13(21)10-4-7-20(8-5-10)14(22)11-9-23-15(18-11)19-12-3-1-2-6-17-12/h1-3,6,9-10H,4-5,7-8H2,(H2,16,21)(H,17,18,19).
What are the key properties of 1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 90509743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).