N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine

C15H21N3S — CID 43394941

IUPACN-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine
SMILESCc1nc2ccccc2n1CCNC1CCSCC1
InChIInChI=1S/C15H21N3S/c1-12-17-14-4-2-3-5-15(14)18(12)9-8-16-13-6-10-19-11-7-13/h2-5,13,16H,6-11H2,1H3
InChIKeySFTRNZFQYKGQME-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.83
Rot. Bonds4

About N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine

N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine (PubChem CID 43394941) 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-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine
PubChem CID43394941
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine
SMILESCc1nc2ccccc2n1CCNC1CCSCC1
InChIInChI=1S/C15H21N3S/c1-12-17-14-4-2-3-5-15(14)18(12)9-8-16-13-6-10-19-11-7-13/h2-5,13,16H,6-11H2,1H3
InChIKeySFTRNZFQYKGQME-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-3-amine
CID 62871960
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
1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
CID 81302349
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
(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
2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine
CID 79864476
(3S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 28950125
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide
CID 97074619
N-[2-(2-propylbenzimidazol-1-yl)ethyl]cyclopentanamine
CID 115971115
1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 47238303

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine?
The IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine (CID 43394941) is N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine.
What is the SMILES notation for N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine?
The canonical SMILES for N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine is Cc1nc2ccccc2n1CCNC1CCSCC1.
What is the InChIKey of N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine?
The InChIKey is SFTRNZFQYKGQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-12-17-14-4-2-3-5-15(14)18(12)9-8-16-13-6-10-19-11-7-13/h2-5,13,16H,6-11H2,1H3.
What are the key properties of N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine?
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-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-4-amine is sourced from PubChem (CID 43394941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).