3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

C7H12N2S — CID 15034992

IUPAC3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCc1csc(CCCN)n1
InChIInChI=1S/C7H12N2S/c1-6-5-10-7(9-6)3-2-4-8/h5H,2-4,8H2,1H3
InChIKeyJIXXWWDGEMQMCJ-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.34
Rot. Bonds3

About 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 15034992) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID15034992
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCc1csc(CCCN)n1
InChIInChI=1S/C7H12N2S/c1-6-5-10-7(9-6)3-2-4-8/h5H,2-4,8H2,1H3
InChIKeyJIXXWWDGEMQMCJ-UHFFFAOYSA-N
XLogP1.34
TPSA38.91 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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 15034992) is 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is Cc1csc(CCCN)n1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is JIXXWWDGEMQMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-6-5-10-7(9-6)3-2-4-8/h5H,2-4,8H2,1H3.
What are the key properties of 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 156.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 15034992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).