4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide

C16H24N6OS — CID 124596959

IUPAC4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CCN(Cc2nccn2C)CC1)c1nccs1
InChIInChI=1S/C16H24N6OS/c1-3-13(15-18-5-11-24-15)19-16(23)22-9-7-21(8-10-22)12-14-17-4-6-20(14)2/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,23)/t13-/m0/s1
InChIKeyKRFKDCPFLKCKKF-ZDUSSCGKSA-N
MW348.48 g/mol
LogP1.86
Rot. Bonds5

About 4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide

4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide (PubChem CID 124596959) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
PubChem CID124596959
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC Name4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CCN(Cc2nccn2C)CC1)c1nccs1
InChIInChI=1S/C16H24N6OS/c1-3-13(15-18-5-11-24-15)19-16(23)22-9-7-21(8-10-22)12-14-17-4-6-20(14)2/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,23)/t13-/m0/s1
InChIKeyKRFKDCPFLKCKKF-ZDUSSCGKSA-N
XLogP1.86
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 124596949
3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 111439100
4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 154762701
4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
CID 75437484
(2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 120872894
5,8-difluoro-N-[1-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71922981
4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 124596967
(2S)-2-amino-3-methyl-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]butan-1-one
CID 86784240
(3-ethoxythiophen-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 3737844
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 95286898
2-cyclopentyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630332

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide (CID 124596959) is 4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide is CC[C@H](NC(=O)N1CCN(Cc2nccn2C)CC1)c1nccs1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide?
The InChIKey is KRFKDCPFLKCKKF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-3-13(15-18-5-11-24-15)19-16(23)22-9-7-21(8-10-22)12-14-17-4-6-20(14)2/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,23)/t13-/m0/s1.
What are the key properties of 4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide?
4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide has a molecular weight of 348.48 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 124596959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).