4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole

C11H13NS2 — CID 115686479

IUPAC4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole
SMILESCCC(C)c1csc(-c2ccsc2)n1
InChIInChI=1S/C11H13NS2/c1-3-8(2)10-7-14-11(12-10)9-4-5-13-6-9/h4-8H,3H2,1-2H3
InChIKeyIYIGASZJVFYIKR-UHFFFAOYSA-N
MW223.37 g/mol
LogP4.39
Rot. Bonds3

About 4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole

4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole (PubChem CID 115686479) has the molecular formula C11H13NS2 and a molecular weight of 223.37 g/mol. Its IUPAC name is 4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole
PubChem CID115686479
Molecular FormulaC11H13NS2
Molecular Weight223.37 g/mol
Exact Mass223.05
IUPAC Name4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole
SMILESCCC(C)c1csc(-c2ccsc2)n1
InChIInChI=1S/C11H13NS2/c1-3-8(2)10-7-14-11(12-10)9-4-5-13-6-9/h4-8H,3H2,1-2H3
InChIKeyIYIGASZJVFYIKR-UHFFFAOYSA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 112697822
2-(3-bromo-5-fluorophenyl)-4-butan-2-yl-1,3-thiazole
CID 113415757
4-butan-2-yl-2-(2,3,4-trifluorophenyl)-1,3-thiazole
CID 107935853
2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid
CID 104527084
2-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115573430
4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole
CID 113253756
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111448602
4-butan-2-yl-2-(thiophen-2-ylmethyl)-1,3-thiazole
CID 115686489
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol
CID 113244476
(2S)-1-pyrazol-1-yl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 95274931
(1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 95762918

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole (CID 115686479) is 4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole is CCC(C)c1csc(-c2ccsc2)n1.
What is the InChIKey of 4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is IYIGASZJVFYIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS2/c1-3-8(2)10-7-14-11(12-10)9-4-5-13-6-9/h4-8H,3H2,1-2H3.
What are the key properties of 4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole?
4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 223.37 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 115686479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).