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

C7H12N2S — CID 82416070

IUPAC(1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine
SMILESCC(C)[C@H](N)c1cscn1
InChIInChI=1S/C7H12N2S/c1-5(2)7(8)6-3-10-4-9-6/h3-5,7H,8H2,1-2H3/t7-/m0/s1
InChIKeyMZYSRMUFWGDMPV-ZETCQYMHSA-N
MW156.25 g/mol
LogP1.80
Rot. Bonds2

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

(1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine (PubChem CID 82416070) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is (1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine
PubChem CID82416070
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name(1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine
SMILESCC(C)[C@H](N)c1cscn1
InChIInChI=1S/C7H12N2S/c1-5(2)7(8)6-3-10-4-9-6/h3-5,7H,8H2,1-2H3/t7-/m0/s1
InChIKeyMZYSRMUFWGDMPV-ZETCQYMHSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3-dimethylbutan-2-yl)-1,3-thiazole
CID 58051737
4-(3,3-dimethylbutan-2-yl)-1,3-thiazole;ethane;thiohydroxylamine
CID 143105883
1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine
CID 122628350
2-fluoro-2-(1,3-thiazol-4-yl)ethanamine
CID 131156691
2-fluoro-1-(1,3-thiazol-4-yl)ethanamine
CID 83815268
N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246
N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250
1,3-thiazol-4-ylmethanediol
CID 59870088
6-(1-amino-2-methylpropyl)pyridin-3-ol
CID 55294242
bis(1,3-thiazol-4-yl)methylhydrazine
CID 130679105
(2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine
CID 130979013
(1S)-2-methyl-1-(5-propan-2-ylpyrazin-2-yl)propan-1-amine
CID 82401661

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine (CID 82416070) is (1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine is CC(C)[C@H](N)c1cscn1.
What is the InChIKey of (1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is MZYSRMUFWGDMPV-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5(2)7(8)6-3-10-4-9-6/h3-5,7H,8H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine?
(1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine has a molecular weight of 156.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 82416070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).