1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide

C18H21N7OS — CID 56764913

IUPAC1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3cc(-n4ccnc4C)ncn3)CC2)sn1
InChIInChI=1S/C18H21N7OS/c1-12-9-17(27-23-12)22-18(26)14-3-6-24(7-4-14)15-10-16(21-11-20-15)25-8-5-19-13(25)2/h5,8-11,14H,3-4,6-7H2,1-2H3,(H,22,26)
InChIKeyBXCXAEAQEHACMH-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.59
Rot. Bonds4

About 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide

1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide (PubChem CID 56764913) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide
PubChem CID56764913
Molecular FormulaC18H21N7OS
Molecular Weight383.48 g/mol
Exact Mass383.15
IUPAC Name1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3cc(-n4ccnc4C)ncn3)CC2)sn1
InChIInChI=1S/C18H21N7OS/c1-12-9-17(27-23-12)22-18(26)14-3-6-24(7-4-14)15-10-16(21-11-20-15)25-8-5-19-13(25)2/h5,8-11,14H,3-4,6-7H2,1-2H3,(H,22,26)
InChIKeyBXCXAEAQEHACMH-UHFFFAOYSA-N
XLogP2.59
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-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-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 56764961
1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-N-(3-methylisothiazol-5-yl)piperidine-4-carboxamide
CID 71810848
N-(3,6-dimethylimidazo[1,2-a]pyrazin-8-yl)-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine
CID 25144433
N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 59503552
N-(6-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 59503557
N-(3-iodo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine
CID 59503566
N-(3-cyclopropylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 59503673
N-(3,6-dimethylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 59503814
N-(3-ethyl-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 59503870
N-(3-cyclopropylimidazo[1,2-a]pyrazin-8-yl)-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine
CID 59503874
5-[4-[(Dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 124109945
5-[4-(Aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 124120568

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide (CID 56764913) is 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(c3cc(-n4ccnc4C)ncn3)CC2)sn1.
What is the InChIKey of 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide?
The InChIKey is BXCXAEAQEHACMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS/c1-12-9-17(27-23-12)22-18(26)14-3-6-24(7-4-14)15-10-16(21-11-20-15)25-8-5-19-13(25)2/h5,8-11,14H,3-4,6-7H2,1-2H3,(H,22,26).
What are the key properties of 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide?
1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 56764913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).