N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine

C10H13N3S — CID 63247799

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCc1[nH]cnc1CNCc1ccsc1
InChIInChI=1S/C10H13N3S/c1-8-10(13-7-12-8)5-11-4-9-2-3-14-6-9/h2-3,6-7,11H,4-5H2,1H3,(H,12,13)
InChIKeyIETMTOMMCAQQQQ-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.07
Rot. Bonds4

About N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine

N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 63247799) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID63247799
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCc1[nH]cnc1CNCc1ccsc1
InChIInChI=1S/C10H13N3S/c1-8-10(13-7-12-8)5-11-4-9-2-3-14-6-9/h2-3,6-7,11H,4-5H2,1H3,(H,12,13)
InChIKeyIETMTOMMCAQQQQ-UHFFFAOYSA-N
XLogP2.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 62748347
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-3-ylmethanamine
CID 63305628
1-(6-methoxy-3-pyridinyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 62748169
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 62743049
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N',N'-bis[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]ethane-1,2-diamine
CID 102599835
1-(5-methyl-1H-imidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 62743229
1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 62743221
N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63643321
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 62742307
1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 62748853
3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904405
N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60744110

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine (CID 63247799) is N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine is Cc1[nH]cnc1CNCc1ccsc1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is IETMTOMMCAQQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-8-10(13-7-12-8)5-11-4-9-2-3-14-6-9/h2-3,6-7,11H,4-5H2,1H3,(H,12,13).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 207.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 63247799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).