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

C14H16N4S — CID 133410036

IUPACN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1H-benzimidazol-2-amine
SMILESCc1csc(CCCNc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C14H16N4S/c1-10-9-19-13(16-10)7-4-8-15-14-17-11-5-2-3-6-12(11)18-14/h2-3,5-6,9H,4,7-8H2,1H3,(H2,15,17,18)
InChIKeyGNWGRBHFMRJHIV-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.37
Rot. Bonds5

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

N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1H-benzimidazol-2-amine (PubChem CID 133410036) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1H-benzimidazol-2-amine
PubChem CID133410036
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC NameN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1H-benzimidazol-2-amine
SMILESCc1csc(CCCNc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C14H16N4S/c1-10-9-19-13(16-10)7-4-8-15-14-17-11-5-2-3-6-12(11)18-14/h2-3,5-6,9H,4,7-8H2,1H3,(H2,15,17,18)
InChIKeyGNWGRBHFMRJHIV-UHFFFAOYSA-N
XLogP3.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 103868134
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793
3-[3-(1H-benzimidazol-2-ylamino)propyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137273620
1-[2-(1H-indol-2-yl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 71913118
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 62313746
6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine
CID 103294777

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1H-benzimidazol-2-amine (CID 133410036) is N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1H-benzimidazol-2-amine is Cc1csc(CCCNc2nc3ccccc3[nH]2)n1.
What is the InChIKey of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1H-benzimidazol-2-amine?
The InChIKey is GNWGRBHFMRJHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-10-9-19-13(16-10)7-4-8-15-14-17-11-5-2-3-6-12(11)18-14/h2-3,5-6,9H,4,7-8H2,1H3,(H2,15,17,18).
What are the key properties of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1H-benzimidazol-2-amine?
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1H-benzimidazol-2-amine has a molecular weight of 272.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 133410036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).