N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine

C15H16N2OS — CID 60960448

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
SMILESC#CCOc1ccccc1CNCc1csc(C)n1
InChIInChI=1S/C15H16N2OS/c1-3-8-18-15-7-5-4-6-13(15)9-16-10-14-11-19-12(2)17-14/h1,4-7,11,16H,8-10H2,2H3
InChIKeyMMNBFSCGROBZGX-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.75
Rot. Bonds6

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine (PubChem CID 60960448) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
PubChem CID60960448
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
SMILESC#CCOc1ccccc1CNCc1csc(C)n1
InChIInChI=1S/C15H16N2OS/c1-3-8-18-15-7-5-4-6-13(15)9-16-10-14-11-19-12(2)17-14/h1,4-7,11,16H,8-10H2,2H3
InChIKeyMMNBFSCGROBZGX-UHFFFAOYSA-N
XLogP2.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28664190
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 107234132
N-[(4-bromothiophen-2-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 60957191
N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 28780721
4-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]phenol
CID 115603324
1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 112730045
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine
CID 63850720
2-methyl-6-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 112554021
2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine
CID 115616903
N-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine
CID 106415025
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 47186046

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine (CID 60960448) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine is C#CCOc1ccccc1CNCc1csc(C)n1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine?
The InChIKey is MMNBFSCGROBZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-3-8-18-15-7-5-4-6-13(15)9-16-10-14-11-19-12(2)17-14/h1,4-7,11,16H,8-10H2,2H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine has a molecular weight of 272.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine is sourced from PubChem (CID 60960448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).