3-methyl-4-(1,2-thiazol-5-yl)butan-2-amine

C8H14N2S — CID 164649205

IUPAC3-methyl-4-(1,2-thiazol-5-yl)butan-2-amine
SMILESCC(N)C(C)Cc1ccns1
InChIInChI=1S/C8H14N2S/c1-6(7(2)9)5-8-3-4-10-11-8/h3-4,6-7H,5,9H2,1-2H3
InChIKeyMCQWLZVTZABAEJ-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.67
Rot. Bonds3

About 3-methyl-4-(1,2-thiazol-5-yl)butan-2-amine

3-methyl-4-(1,2-thiazol-5-yl)butan-2-amine (PubChem CID 164649205) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 3-methyl-4-(1,2-thiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-4-(1,2-thiazol-5-yl)butan-2-amine
PubChem CID164649205
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name3-methyl-4-(1,2-thiazol-5-yl)butan-2-amine
SMILESCC(N)C(C)Cc1ccns1
InChIInChI=1S/C8H14N2S/c1-6(7(2)9)5-8-3-4-10-11-8/h3-4,6-7H,5,9H2,1-2H3
InChIKeyMCQWLZVTZABAEJ-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 126796216
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1-(1,2-Thiazol-5-yl)ethan-1-amine hydrochloride
CID 134691063
2-(1,2-Thiazol-5-yl)ethan-1-amine
CID 55254312
5-(1,1-Difluoro-2,2-dimethylbutyl)-1,2-thiazole
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1-(1,2-Thiazol-5-yl)ethan-1-amine
CID 82418738
5-(4-Fluoroazepan-4-yl)-1,2-thiazole
CID 130856979
5-(1-Fluoro-1-pyrrolidin-2-ylethyl)-1,2-thiazole
CID 130874791
3-Fluoro-3-(1,2-thiazol-5-yl)cyclobutan-1-amine
CID 130900761
5-[Fluoro(piperidin-3-yl)methyl]-1,2-thiazole
CID 130900890
1-Fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine
CID 131001011
3-Fluoro-3-(1,2-thiazol-5-yl)butan-2-amine
CID 131002474

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1,2-thiazol-5-yl)butan-2-amine?
The IUPAC name of 3-methyl-4-(1,2-thiazol-5-yl)butan-2-amine (CID 164649205) is 3-methyl-4-(1,2-thiazol-5-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-4-(1,2-thiazol-5-yl)butan-2-amine?
The canonical SMILES for 3-methyl-4-(1,2-thiazol-5-yl)butan-2-amine is CC(N)C(C)Cc1ccns1.
What is the InChIKey of 3-methyl-4-(1,2-thiazol-5-yl)butan-2-amine?
The InChIKey is MCQWLZVTZABAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6(7(2)9)5-8-3-4-10-11-8/h3-4,6-7H,5,9H2,1-2H3.
What are the key properties of 3-methyl-4-(1,2-thiazol-5-yl)butan-2-amine?
3-methyl-4-(1,2-thiazol-5-yl)butan-2-amine has a molecular weight of 170.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1,2-thiazol-5-yl)butan-2-amine is sourced from PubChem (CID 164649205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).