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

C8H14N2S — CID 94607240

IUPAC(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
SMILESCC[C@H](N)Cc1csc(C)n1
InChIInChI=1S/C8H14N2S/c1-3-7(9)4-8-5-11-6(2)10-8/h5,7H,3-4,9H2,1-2H3/t7-/m0/s1
InChIKeyUNSVLVIPMMOLSN-ZETCQYMHSA-N
MW170.28 g/mol
LogP1.73
Rot. Bonds3

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

(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine (PubChem CID 94607240) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is (2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
PubChem CID94607240
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
SMILESCC[C@H](N)Cc1csc(C)n1
InChIInChI=1S/C8H14N2S/c1-3-7(9)4-8-5-11-6(2)10-8/h5,7H,3-4,9H2,1-2H3/t7-/m0/s1
InChIKeyUNSVLVIPMMOLSN-ZETCQYMHSA-N
XLogP1.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721394
6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83161989
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-2-amine
CID 79178263
1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55119893
5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
CID 65095510
1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 79748691
[3-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-yl]hydrazine
CID 105214739
1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
CID 115958268
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
[4-ethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-yl]hydrazine
CID 105214789
1-(5-methylfuran-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997036

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine?
The IUPAC name of (2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine (CID 94607240) is (2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine.
What is the SMILES notation for (2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine?
The canonical SMILES for (2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine is CC[C@H](N)Cc1csc(C)n1.
What is the InChIKey of (2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine?
The InChIKey is UNSVLVIPMMOLSN-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-7(9)4-8-5-11-6(2)10-8/h5,7H,3-4,9H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine?
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine has a molecular weight of 170.28 g/mol, XLogP of 1.73, 3 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-4-yl)butan-2-amine is sourced from PubChem (CID 94607240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).