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

C14H17N3S — CID 63999346

IUPAC2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine
SMILESC#CC(C)(C)NC(c1cccs1)c1nccn1C
InChIInChI=1S/C14H17N3S/c1-5-14(2,3)16-12(11-7-6-10-18-11)13-15-8-9-17(13)4/h1,6-10,12,16H,2-4H3
InChIKeyLSYAWDZWDWNUFK-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.57
Rot. Bonds4

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

2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine (PubChem CID 63999346) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine
PubChem CID63999346
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine
SMILESC#CC(C)(C)NC(c1cccs1)c1nccn1C
InChIInChI=1S/C14H17N3S/c1-5-14(2,3)16-12(11-7-6-10-18-11)13-15-8-9-17(13)4/h1,6-10,12,16H,2-4H3
InChIKeyLSYAWDZWDWNUFK-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine 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

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
CID 82685624
(1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 81398838
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 43770265
2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
CID 43767761
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-2-en-1-amine
CID 114154687
3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
CID 60904183
4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
CID 106840967
2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
CID 54913424
1-(1-methylimidazol-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 106392338
N',N'-diethyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,3-diamine
CID 43763148

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine?
The IUPAC name of 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine (CID 63999346) is 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine?
The canonical SMILES for 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine is C#CC(C)(C)NC(c1cccs1)c1nccn1C.
What is the InChIKey of 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine?
The InChIKey is LSYAWDZWDWNUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-5-14(2,3)16-12(11-7-6-10-18-11)13-15-8-9-17(13)4/h1,6-10,12,16H,2-4H3.
What are the key properties of 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine?
2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine has a molecular weight of 259.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine is sourced from PubChem (CID 63999346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).