4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine

C11H10N4S — CID 14668556

IUPAC4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C11H10N4S/c1-12-11-15-9(6-16-11)10-13-7-4-2-3-5-8(7)14-10/h2-6H,1H3,(H,12,15)(H,13,14)
InChIKeyCOBDBODFRUNTMX-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.73
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine

4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 14668556) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine
PubChem CID14668556
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C11H10N4S/c1-12-11-15-9(6-16-11)10-13-7-4-2-3-5-8(7)14-10/h2-6H,1H3,(H,12,15)(H,13,14)
InChIKeyCOBDBODFRUNTMX-UHFFFAOYSA-N
XLogP2.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-benzimidazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole
CID 141368913
N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 157020411
4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole
CID 123159437
N-methyl-4-(2-phenyl-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 8963026
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
tert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate
CID 142043040
2-(1H-benzimidazol-2-yl)quinoline
CID 646533
CID 121235374
CID 121235374
2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 870214
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
2-(1-methylimidazol-4-yl)-1H-benzimidazole
CID 45078360

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine (CID 14668556) is 4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2nc3ccccc3[nH]2)cs1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is COBDBODFRUNTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-12-11-15-9(6-16-11)10-13-7-4-2-3-5-8(7)14-10/h2-6H,1H3,(H,12,15)(H,13,14).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine?
4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 230.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 14668556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).