N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine

C9H11N3S — CID 66350553

IUPACN-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine
SMILESCn1ccnc1CNc1ccsc1
InChIInChI=1S/C9H11N3S/c1-12-4-3-10-9(12)6-11-8-2-5-13-7-8/h2-5,7,11H,6H2,1H3
InChIKeyJVFDRIPYVQZCRC-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.09
Rot. Bonds3

About N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine

N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine (PubChem CID 66350553) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine
PubChem CID66350553
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine
SMILESCn1ccnc1CNc1ccsc1
InChIInChI=1S/C9H11N3S/c1-12-4-3-10-9(12)6-11-8-2-5-13-7-8/h2-5,7,11H,6H2,1H3
InChIKeyJVFDRIPYVQZCRC-UHFFFAOYSA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62351704
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
3-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62355871
4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087956
1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol
CID 143391179
3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087909
N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline
CID 55064678
N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide
CID 63295796
2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 60690893
N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
CID 60685164
2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
N-[(3-methyl-2-pyridinyl)methyl]thiophen-3-amine
CID 112650234

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine (CID 66350553) is N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine is Cn1ccnc1CNc1ccsc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine?
The InChIKey is JVFDRIPYVQZCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-12-4-3-10-9(12)6-11-8-2-5-13-7-8/h2-5,7,11H,6H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine?
N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine has a molecular weight of 193.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine is sourced from PubChem (CID 66350553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).