N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine

C10H14N2S — CID 105112701

IUPACN-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine
SMILESCC#CCC(NC)c1scnc1C
InChIInChI=1S/C10H14N2S/c1-4-5-6-9(11-3)10-8(2)12-7-13-10/h7,9,11H,6H2,1-3H3
InChIKeyNHPBAQMEWTZGAQ-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.13
Rot. Bonds3

About N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine

N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine (PubChem CID 105112701) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine
PubChem CID105112701
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine
SMILESCC#CCC(NC)c1scnc1C
InChIInChI=1S/C10H14N2S/c1-4-5-6-9(11-3)10-8(2)12-7-13-10/h7,9,11H,6H2,1-3H3
InChIKeyNHPBAQMEWTZGAQ-UHFFFAOYSA-N
XLogP2.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-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-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine
CID 105181533
N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 105140195
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine
CID 105138249
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150397
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine
CID 105158458
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105161053
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154961
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 105125558
1-(4-methyl-1,3-thiazol-5-yl)pentylhydrazine
CID 105293729
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105157639
N-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105161454
1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 82416051

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine?
The IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine (CID 105112701) is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine?
The canonical SMILES for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine is CC#CCC(NC)c1scnc1C.
What is the InChIKey of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine?
The InChIKey is NHPBAQMEWTZGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-4-5-6-9(11-3)10-8(2)12-7-13-10/h7,9,11H,6H2,1-3H3.
What are the key properties of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine?
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine has a molecular weight of 194.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine is sourced from PubChem (CID 105112701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).