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

C7H12N2S — CID 95426522

IUPAC(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
SMILESCc1ncc(C[C@H](C)N)s1
InChIInChI=1S/C7H12N2S/c1-5(8)3-7-4-9-6(2)10-7/h4-5H,3,8H2,1-2H3/t5-/m0/s1
InChIKeyGMHZBRPMTWHDRK-YFKPBYRVSA-N
MW156.25 g/mol
LogP1.34
Rot. Bonds2

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

(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine (PubChem CID 95426522) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is (2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
PubChem CID95426522
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
SMILESCc1ncc(C[C@H](C)N)s1
InChIInChI=1S/C7H12N2S/c1-5(8)3-7-4-9-6(2)10-7/h4-5H,3,8H2,1-2H3/t5-/m0/s1
InChIKeyGMHZBRPMTWHDRK-YFKPBYRVSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 82406413
(2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458720
(2R)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458721
2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol
CID 79449809
3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol
CID 66057736
dipropan-2-yl 2-[(2-methyl-1,3-thiazol-5-yl)methyl]propanedioate
CID 103972703
4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-ol
CID 66060461
(2-methyl-1,3-thiazol-5-yl)methanethiol
CID 82514756
1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 79888393
1-[6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79169332
5-(bromomethyl)-2-methyl-1,3-thiazole
CID 55250786
5-[2-(chloromethyl)-3,3-dimethylbutyl]-2-methyl-1,3-thiazole
CID 83139081

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of (2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine (CID 95426522) is (2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine is Cc1ncc(C[C@H](C)N)s1.
What is the InChIKey of (2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is GMHZBRPMTWHDRK-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5(8)3-7-4-9-6(2)10-7/h4-5H,3,8H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine?
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 156.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 95426522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).