N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine

C12H12N4S — CID 78911712

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCn1c(CNc2nccs2)nc2ccccc21
InChIInChI=1S/C12H12N4S/c1-16-10-5-3-2-4-9(10)15-11(16)8-14-12-13-6-7-17-12/h2-7H,8H2,1H3,(H,13,14)
InChIKeyRVOVPNGNUYXNRF-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.64
Rot. Bonds3

About N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine

N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 78911712) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID78911712
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCn1c(CNc2nccs2)nc2ccccc21
InChIInChI=1S/C12H12N4S/c1-16-10-5-3-2-4-9(10)15-11(16)8-14-12-13-6-7-17-12/h2-7H,8H2,1H3,(H,13,14)
InChIKeyRVOVPNGNUYXNRF-UHFFFAOYSA-N
XLogP2.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine 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-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 55228241
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 974484
6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine
CID 103825773
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 62998610
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 167791140
N-ethyl-3-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine
CID 79754406
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
CID 107679286
3,5-dichloro-4-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107572808
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine (CID 78911712) is N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine is Cn1c(CNc2nccs2)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is RVOVPNGNUYXNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-16-10-5-3-2-4-9(10)15-11(16)8-14-12-13-6-7-17-12/h2-7H,8H2,1H3,(H,13,14).
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 244.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 78911712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).