N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide

C12H14N4OS — CID 91838021

IUPACN-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide
SMILESCc1nc2c(s1)CCCC2NC(=O)c1cnc[nH]1
InChIInChI=1S/C12H14N4OS/c1-7-15-11-8(3-2-4-10(11)18-7)16-12(17)9-5-13-6-14-9/h5-6,8H,2-4H2,1H3,(H,13,14)(H,16,17)
InChIKeyJOFOAPUHGANADZ-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.98
Rot. Bonds2

About N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide

N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide (PubChem CID 91838021) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide
PubChem CID91838021
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide
SMILESCc1nc2c(s1)CCCC2NC(=O)c1cnc[nH]1
InChIInChI=1S/C12H14N4OS/c1-7-15-11-8(3-2-4-10(11)18-7)16-12(17)9-5-13-6-14-9/h5-6,8H,2-4H2,1H3,(H,13,14)(H,16,17)
InChIKeyJOFOAPUHGANADZ-UHFFFAOYSA-N
XLogP1.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-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 N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide (CID 91838021) is N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide is Cc1nc2c(s1)CCCC2NC(=O)c1cnc[nH]1.
What is the InChIKey of N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide?
The InChIKey is JOFOAPUHGANADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-15-11-8(3-2-4-10(11)18-7)16-12(17)9-5-13-6-14-9/h5-6,8H,2-4H2,1H3,(H,13,14)(H,16,17).
What are the key properties of N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide?
N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 91838021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).