1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

C19H17N7OS — CID 119100949

IUPAC1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCc1cccc2sc(NC(=O)C3CN(c4cc(-n5ccnc5)ncn4)C3)nc12
InChIInChI=1S/C19H17N7OS/c1-12-3-2-4-14-17(12)23-19(28-14)24-18(27)13-8-26(9-13)16-7-15(21-10-22-16)25-6-5-20-11-25/h2-7,10-11,13H,8-9H2,1H3,(H,23,24,27)
InChIKeyQVHQNAYWGNMGJK-UHFFFAOYSA-N
MW391.46 g/mol
LogP2.66
Rot. Bonds4

About 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (PubChem CID 119100949) has the molecular formula C19H17N7OS and a molecular weight of 391.46 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
PubChem CID119100949
Molecular FormulaC19H17N7OS
Molecular Weight391.46 g/mol
Exact Mass391.12
IUPAC Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCc1cccc2sc(NC(=O)C3CN(c4cc(-n5ccnc5)ncn4)C3)nc12
InChIInChI=1S/C19H17N7OS/c1-12-3-2-4-14-17(12)23-19(28-14)24-18(27)13-8-26(9-13)16-7-15(21-10-22-16)25-6-5-20-11-25/h2-7,10-11,13H,8-9H2,1H3,(H,23,24,27)
InChIKeyQVHQNAYWGNMGJK-UHFFFAOYSA-N
XLogP2.66
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-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

Related Compounds

1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide
CID 121018217
N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119100942
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[3-(methanesulfonamido)phenyl]azetidine-3-carboxamide
CID 122161183
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide
CID 122161195
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide
CID 122161190
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide
CID 122161194
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide
CID 119100946
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 90520313
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methylcyclohexyl)azetidine-3-carboxamide
CID 122160300
N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119100941
1-[5-(6-imidazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
CID 58441028
N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514780

Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (CID 119100949) is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is Cc1cccc2sc(NC(=O)C3CN(c4cc(-n5ccnc5)ncn4)C3)nc12.
What is the InChIKey of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is QVHQNAYWGNMGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7OS/c1-12-3-2-4-14-17(12)23-19(28-14)24-18(27)13-8-26(9-13)16-7-15(21-10-22-16)25-6-5-20-11-25/h2-7,10-11,13H,8-9H2,1H3,(H,23,24,27).
What are the key properties of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 119100949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).