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

C9H16N2S — CID 94605824

IUPAC(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCCC[C@H](N)Cc1nc(C)cs1
InChIInChI=1S/C9H16N2S/c1-3-4-8(10)5-9-11-7(2)6-12-9/h6,8H,3-5,10H2,1-2H3/t8-/m0/s1
InChIKeyBKILRJDZUCZEQH-QMMMGPOBSA-N
MW184.31 g/mol
LogP2.12
Rot. Bonds4

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

(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 94605824) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is (2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
PubChem CID94605824
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCCC[C@H](N)Cc1nc(C)cs1
InChIInChI=1S/C9H16N2S/c1-3-4-8(10)5-9-11-7(2)6-12-9/h6,8H,3-5,10H2,1-2H3/t8-/m0/s1
InChIKeyBKILRJDZUCZEQH-QMMMGPOBSA-N
XLogP2.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 62796871
5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 64567637
1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol
CID 115824197
3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine
CID 116717476
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine
CID 65168639
1-(4-methyl-1,3-thiazol-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105171577
3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 105019405
2-ethyl-4-methyl-1,3-thiazole
CID 27440
1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 105373847
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 64989653
3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 130589293

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of (2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine (CID 94605824) is (2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for (2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for (2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine is CCC[C@H](N)Cc1nc(C)cs1.
What is the InChIKey of (2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is BKILRJDZUCZEQH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2S/c1-3-4-8(10)5-9-11-7(2)6-12-9/h6,8H,3-5,10H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 184.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 94605824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).