N-methyl-2-(1,3-thiazol-2-yl)propan-1-amine

C7H12N2S — CID 64989109

IUPACN-methyl-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCNCC(C)c1nccs1
InChIInChI=1S/C7H12N2S/c1-6(5-8-2)7-9-3-4-10-7/h3-4,6,8H,5H2,1-2H3
InChIKeyQOUYVAVHXIFTNL-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.47
Rot. Bonds3

About N-methyl-2-(1,3-thiazol-2-yl)propan-1-amine

N-methyl-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 64989109) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is N-methyl-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID64989109
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC NameN-methyl-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCNCC(C)c1nccs1
InChIInChI=1S/C7H12N2S/c1-6(5-8-2)7-9-3-4-10-7/h3-4,6,8H,5H2,1-2H3
InChIKeyQOUYVAVHXIFTNL-UHFFFAOYSA-N
XLogP1.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-methyl-2-(1,3-thiazol-2-yl)propan-1-amine (CID 64989109) is N-methyl-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-(1,3-thiazol-2-yl)propan-1-amine is CNCC(C)c1nccs1.
What is the InChIKey of N-methyl-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is QOUYVAVHXIFTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-6(5-8-2)7-9-3-4-10-7/h3-4,6,8H,5H2,1-2H3.
What are the key properties of N-methyl-2-(1,3-thiazol-2-yl)propan-1-amine?
N-methyl-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 156.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 64989109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).