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

C8H10N2S — CID 28780721

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1csc(C)n1
InChIInChI=1S/C8H10N2S/c1-3-4-9-5-8-6-11-7(2)10-8/h1,6,9H,4-5H2,2H3
InChIKeyZWRYGGQOBMMYFE-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.17
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine (PubChem CID 28780721) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
PubChem CID28780721
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1csc(C)n1
InChIInChI=1S/C8H10N2S/c1-3-4-9-5-8-6-11-7(2)10-8/h1,6,9H,4-5H2,2H3
InChIKeyZWRYGGQOBMMYFE-UHFFFAOYSA-N
XLogP1.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 115614174
N-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 130734517
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 60960976
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 60960448
1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621582
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28781366
1-(4-iodophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65479206
3-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 64677704
2-ethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine
CID 79814325
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine
CID 60960559
1-(2-methyl-1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60961012

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine (CID 28780721) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine is C#CCNCc1csc(C)n1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine?
The InChIKey is ZWRYGGQOBMMYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-3-4-9-5-8-6-11-7(2)10-8/h1,6,9H,4-5H2,2H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine has a molecular weight of 166.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine is sourced from PubChem (CID 28780721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).