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

C20H20N4O2S — CID 1096741

IUPAC1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2csc(Nc3cccc4ccccc34)n2)CC1
InChIInChI=1S/C20H20N4O2S/c21-18(25)14-8-10-24(11-9-14)19(26)17-12-27-20(23-17)22-16-7-3-5-13-4-1-2-6-15(13)16/h1-7,12,14H,8-11H2,(H2,21,25)(H,22,23)
InChIKeyIDYMQWHUWQIBIQ-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.38
Rot. Bonds4

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

1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide (PubChem CID 1096741) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
PubChem CID1096741
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2csc(Nc3cccc4ccccc34)n2)CC1
InChIInChI=1S/C20H20N4O2S/c21-18(25)14-8-10-24(11-9-14)19(26)17-12-27-20(23-17)22-16-7-3-5-13-4-1-2-6-15(13)16/h1-7,12,14H,8-11H2,(H2,21,25)(H,22,23)
InChIKeyIDYMQWHUWQIBIQ-UHFFFAOYSA-N
XLogP3.38
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 90509743
1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16915175
ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 3974706
ethyl 1-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 90509948
3-[[4-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxylic acid
CID 24965270
1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide
CID 58211023
1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16915326
1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 35263116
2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 42876759
1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 119125746
1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 630762
N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
CID 3983544

Frequently Asked Questions

What is the IUPAC name of 1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide (CID 1096741) is 1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2csc(Nc3cccc4ccccc34)n2)CC1.
What is the InChIKey of 1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is IDYMQWHUWQIBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c21-18(25)14-8-10-24(11-9-14)19(26)17-12-27-20(23-17)22-16-7-3-5-13-4-1-2-6-15(13)16/h1-7,12,14H,8-11H2,(H2,21,25)(H,22,23).
What are the key properties of 1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 1096741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).