3-butyl-2H-1,3-thiazole

C7H13NS — CID 57017681

IUPAC3-butyl-2H-1,3-thiazole
SMILESCCCCN1C=CSC1
InChIInChI=1S/C7H13NS/c1-2-3-4-8-5-6-9-7-8/h5-6H,2-4,7H2,1H3
InChIKeyUTHRUJNLRWEULH-UHFFFAOYSA-N
MW143.25 g/mol
LogP2.26
Rot. Bonds3

About 3-butyl-2H-1,3-thiazole

3-butyl-2H-1,3-thiazole (PubChem CID 57017681) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 3-butyl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-butyl-2H-1,3-thiazole
PubChem CID57017681
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name3-butyl-2H-1,3-thiazole
SMILESCCCCN1C=CSC1
InChIInChI=1S/C7H13NS/c1-2-3-4-8-5-6-9-7-8/h5-6H,2-4,7H2,1H3
InChIKeyUTHRUJNLRWEULH-UHFFFAOYSA-N
XLogP2.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-hexadecyl-2H-1,3-thiazole
CID 57301899
3-(4-tetradecoxybutyl)-2H-1,3-thiazole;hydroiodide
CID 173410750
3-(2-hexadecylsulfanylethyl)-2H-1,3-thiazole;hydroiodide
CID 173329959
3-[4-(3-octadecan-3-yloxypropoxy)butyl]-2H-1,3-thiazole;hydroiodide
CID 173410739
1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230
1-butyl-3-methyl-2H-imidazole
CID 10265934
3-(3-hexadecylsulfanyl-2-methoxypropyl)-2H-1,3-thiazole
CID 56990319
(4-hexadecyloxolan-2-yl)methyl 4-(2H-1,3-thiazol-3-yl)butyl carbonate
CID 57126901
3-butyl-5-methyl-2H-1,3-thiazole
CID 67403443
[2-methoxy-2-methyl-3-[4-(2H-1,3-thiazol-3-yl)butoxy]propyl] N-methyl-N-octadecylcarbamate
CID 57026638
1-butyl-3-ethyl-2H-imidazole;hydroiodide
CID 173049590
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2H-1,3-thiazole?
The IUPAC name of 3-butyl-2H-1,3-thiazole (CID 57017681) is 3-butyl-2H-1,3-thiazole.
What is the SMILES notation for 3-butyl-2H-1,3-thiazole?
The canonical SMILES for 3-butyl-2H-1,3-thiazole is CCCCN1C=CSC1.
What is the InChIKey of 3-butyl-2H-1,3-thiazole?
The InChIKey is UTHRUJNLRWEULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-3-4-8-5-6-9-7-8/h5-6H,2-4,7H2,1H3.
What are the key properties of 3-butyl-2H-1,3-thiazole?
3-butyl-2H-1,3-thiazole has a molecular weight of 143.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2H-1,3-thiazole is sourced from PubChem (CID 57017681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).