5-(3-methylbutan-2-yl)-1,3-thiazole

C8H13NS — CID 137491258

IUPAC5-(3-methylbutan-2-yl)-1,3-thiazole
SMILESCC(C)C(C)c1cncs1
InChIInChI=1S/C8H13NS/c1-6(2)7(3)8-4-9-5-10-8/h4-7H,1-3H3
InChIKeyPYLUASGZWRHHQW-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.90
Rot. Bonds2

About 5-(3-methylbutan-2-yl)-1,3-thiazole

5-(3-methylbutan-2-yl)-1,3-thiazole (PubChem CID 137491258) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 5-(3-methylbutan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-methylbutan-2-yl)-1,3-thiazole
PubChem CID137491258
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name5-(3-methylbutan-2-yl)-1,3-thiazole
SMILESCC(C)C(C)c1cncs1
InChIInChI=1S/C8H13NS/c1-6(2)7(3)8-4-9-5-10-8/h4-7H,1-3H3
InChIKeyPYLUASGZWRHHQW-UHFFFAOYSA-N
XLogP2.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(1,3-thiazol-5-yl)ethanamine
CID 42151701
(1R)-1-(1,3-thiazol-5-yl)ethanamine
CID 42151698
(1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride
CID 71758291
2-(1,3-thiazol-5-yl)propan-1-ol
CID 115091714
1-(1,3-thiazol-5-yl)propan-1-amine
CID 67336934
chloro(1,3-thiazol-5-yl)methanamine
CID 67926841
N-[2-fluoro-1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 83817805
2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine
CID 115717805
(2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol
CID 58603986
ethyl 2-(1,3-thiazol-5-yl)propanoate
CID 174611398
N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine
CID 115706170
1-cyclopropyl-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 115707513

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutan-2-yl)-1,3-thiazole?
The IUPAC name of 5-(3-methylbutan-2-yl)-1,3-thiazole (CID 137491258) is 5-(3-methylbutan-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-(3-methylbutan-2-yl)-1,3-thiazole?
The canonical SMILES for 5-(3-methylbutan-2-yl)-1,3-thiazole is CC(C)C(C)c1cncs1.
What is the InChIKey of 5-(3-methylbutan-2-yl)-1,3-thiazole?
The InChIKey is PYLUASGZWRHHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6(2)7(3)8-4-9-5-10-8/h4-7H,1-3H3.
What are the key properties of 5-(3-methylbutan-2-yl)-1,3-thiazole?
5-(3-methylbutan-2-yl)-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutan-2-yl)-1,3-thiazole is sourced from PubChem (CID 137491258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).