N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine

C15H21N3S — CID 62871960

IUPACN-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine
SMILESCc1nc2ccccc2n1CCNC1CCCSC1
InChIInChI=1S/C15H21N3S/c1-12-17-14-6-2-3-7-15(14)18(12)9-8-16-13-5-4-10-19-11-13/h2-3,6-7,13,16H,4-5,8-11H2,1H3
InChIKeyWAZLIWLGPIXKKZ-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.83
Rot. Bonds4

About N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine

N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine (PubChem CID 62871960) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine.

Molecular Properties

Compound NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine
PubChem CID62871960
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine
SMILESCc1nc2ccccc2n1CCNC1CCCSC1
InChIInChI=1S/C15H21N3S/c1-12-17-14-6-2-3-7-15(14)18(12)9-8-16-13-5-4-10-19-11-13/h2-3,6-7,13,16H,4-5,8-11H2,1H3
InChIKeyWAZLIWLGPIXKKZ-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine
CID 43394941
1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine
CID 28712904
N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine
CID 65076508
(3R)-N-[3-(1-methylbenzimidazol-2-yl)propyl]thian-3-amine
CID 124616836
N-[3-(1-methylbenzimidazol-2-yl)propyl]thian-3-amine
CID 122559427
2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine
CID 79864476
N-[3-(benzimidazol-1-yl)propyl]thian-3-amine
CID 62872143
1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
CID 81302349
(3aR,6aS)-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine
CID 154806034
1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
CID 113222196
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
(3S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 28950125

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine?
The IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine (CID 62871960) is N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine.
What is the SMILES notation for N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine?
The canonical SMILES for N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine is Cc1nc2ccccc2n1CCNC1CCCSC1.
What is the InChIKey of N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine?
The InChIKey is WAZLIWLGPIXKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-12-17-14-6-2-3-7-15(14)18(12)9-8-16-13-5-4-10-19-11-13/h2-3,6-7,13,16H,4-5,8-11H2,1H3.
What are the key properties of N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine?
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine has a molecular weight of 275.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine is sourced from PubChem (CID 62871960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).