N-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine

C8H10N2S — CID 105158458

IUPACN-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine
SMILESC#CC(NC)c1scnc1C
InChIInChI=1S/C8H10N2S/c1-4-7(9-3)8-6(2)10-5-11-8/h1,5,7,9H,2-3H3
InChIKeySHXWLMXHVLQCMU-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.35
Rot. Bonds2

About N-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine

N-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine (PubChem CID 105158458) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine
PubChem CID105158458
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine
SMILESC#CC(NC)c1scnc1C
InChIInChI=1S/C8H10N2S/c1-4-7(9-3)8-6(2)10-5-11-8/h1,5,7,9H,2-3H3
InChIKeySHXWLMXHVLQCMU-UHFFFAOYSA-N
XLogP1.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine
CID 105112701
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hex-1-yn-3-amine
CID 106226089
1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 82416051
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine
CID 105138249
N-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105153878
N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 105140195
2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid
CID 21298330
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-quinolin-8-ylmethanamine
CID 105172558
2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 82411798
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154961
5-methyl-1-(4-methyl-1,3-thiazol-5-yl)hexan-1-ol
CID 105122728
(1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 101008965

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine?
The IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine (CID 105158458) is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine?
The canonical SMILES for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine is C#CC(NC)c1scnc1C.
What is the InChIKey of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine?
The InChIKey is SHXWLMXHVLQCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-4-7(9-3)8-6(2)10-5-11-8/h1,5,7,9H,2-3H3.
What are the key properties of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine?
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine has a molecular weight of 166.25 g/mol, XLogP of 1.35, 2 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)prop-2-yn-1-amine is sourced from PubChem (CID 105158458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).