1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine

C7H12N2S — CID 43558941

IUPAC1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(N)c1ncc(C)s1
InChIInChI=1S/C7H12N2S/c1-3-6(8)7-9-4-5(2)10-7/h4,6H,3,8H2,1-2H3
InChIKeyAPKQLPMWSOGOKA-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.86
Rot. Bonds2

About 1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine

1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 43558941) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID43558941
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(N)c1ncc(C)s1
InChIInChI=1S/C7H12N2S/c1-3-6(8)7-9-4-5(2)10-7/h4,6H,3,8H2,1-2H3
InChIKeyAPKQLPMWSOGOKA-UHFFFAOYSA-N
XLogP1.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 43558941) is 1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine is CCC(N)c1ncc(C)s1.
What is the InChIKey of 1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is APKQLPMWSOGOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-3-6(8)7-9-4-5(2)10-7/h4,6H,3,8H2,1-2H3.
What are the key properties of 1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine?
1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 156.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 43558941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).