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

C16H21N5O2S2 — CID 84562849

IUPAC1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1nc(NC(=O)CN2CCCC(C(=O)Nc3nccs3)C2)sc1C
InChIInChI=1S/C16H21N5O2S2/c1-10-11(2)25-16(18-10)19-13(22)9-21-6-3-4-12(8-21)14(23)20-15-17-5-7-24-15/h5,7,12H,3-4,6,8-9H2,1-2H3,(H,17,20,23)(H,18,19,22)
InChIKeyJCXMVBRGDRHIOZ-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.51
Rot. Bonds5

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

1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 84562849) has the molecular formula C16H21N5O2S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID84562849
Molecular FormulaC16H21N5O2S2
Molecular Weight379.51 g/mol
Exact Mass379.11
IUPAC Name1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1nc(NC(=O)CN2CCCC(C(=O)Nc3nccs3)C2)sc1C
InChIInChI=1S/C16H21N5O2S2/c1-10-11(2)25-16(18-10)19-13(22)9-21-6-3-4-12(8-21)14(23)20-15-17-5-7-24-15/h5,7,12H,3-4,6,8-9H2,1-2H3,(H,17,20,23)(H,18,19,22)
InChIKeyJCXMVBRGDRHIOZ-UHFFFAOYSA-N
XLogP2.51
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 84562849) is 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is Cc1nc(NC(=O)CN2CCCC(C(=O)Nc3nccs3)C2)sc1C.
What is the InChIKey of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is JCXMVBRGDRHIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S2/c1-10-11(2)25-16(18-10)19-13(22)9-21-6-3-4-12(8-21)14(23)20-15-17-5-7-24-15/h5,7,12H,3-4,6,8-9H2,1-2H3,(H,17,20,23)(H,18,19,22).
What are the key properties of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 84562849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).