N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine

C10H13N3S — CID 62999179

IUPACN-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCn1cncc1CNCc1cccs1
InChIInChI=1S/C10H13N3S/c1-13-8-12-6-9(13)5-11-7-10-3-2-4-14-10/h2-4,6,8,11H,5,7H2,1H3
InChIKeyDDJHKIYYDSWJKF-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.77
Rot. Bonds4

About N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine

N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 62999179) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID62999179
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCn1cncc1CNCc1cccs1
InChIInChI=1S/C10H13N3S/c1-13-8-12-6-9(13)5-11-7-10-3-2-4-14-10/h2-4,6,8,11H,5,7H2,1H3
InChIKeyDDJHKIYYDSWJKF-UHFFFAOYSA-N
XLogP1.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 19626588
N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 66131471
N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126966027
1-(3-methylimidazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 62998460
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 115655838
1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 66411304
2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147964
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126967664
2-(3-methylimidazol-4-yl)-2-(thiophen-2-ylmethylamino)acetamide
CID 66117109
3,3,3-trifluoro-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 66116451
1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63237108
N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine
CID 63000421

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine (CID 62999179) is N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine is Cn1cncc1CNCc1cccs1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is DDJHKIYYDSWJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-13-8-12-6-9(13)5-11-7-10-3-2-4-14-10/h2-4,6,8,11H,5,7H2,1H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 207.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 62999179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).