(4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone

C11H15NOS — CID 143011801

IUPAC(4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone
SMILESCC(C)(C)c1csc(C(=O)C2CC2)n1
InChIInChI=1S/C11H15NOS/c1-11(2,3)8-6-14-10(12-8)9(13)7-4-5-7/h6-7H,4-5H2,1-3H3
InChIKeyLPEREEILOIKLLT-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.03
Rot. Bonds2

About (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone

(4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone (PubChem CID 143011801) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone
PubChem CID143011801
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone
SMILESCC(C)(C)c1csc(C(=O)C2CC2)n1
InChIInChI=1S/C11H15NOS/c1-11(2,3)8-6-14-10(12-8)9(13)7-4-5-7/h6-7H,4-5H2,1-3H3
InChIKeyLPEREEILOIKLLT-UHFFFAOYSA-N
XLogP3.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(Propan-2-yl)-1,3-thiazol-4-yl]ethan-1-one
CID 64544412
2-Methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-one
CID 67968357
1-[2-(1-Fluorocyclobutyl)-1,3-thiazol-4-yl]ethanone
CID 126498064
1-(4-Tert-butyl-1,3-thiazol-2-yl)ethanone
CID 12954406
3,3-Dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one
CID 13597316
3-(4-Tert-butyl-1,3-thiazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 79819719
1-(4-Tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one
CID 79820022
1-(4-Tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-one
CID 79954595
1-[4-(2-Fluoropropan-2-yl)-1,3-thiazol-2-yl]ethanone
CID 84770357
1-(4-Tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-one
CID 103311529
1-(4-Tert-butyl-1,3-thiazol-2-yl)-3,3,4,4-tetrafluorobutan-2-one
CID 108053008
1-(4-Tert-butyl-1,3-thiazol-2-yl)-3,3,4,4,4-pentafluorobutan-2-one
CID 108095968

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone?
The IUPAC name of (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone (CID 143011801) is (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone.
What is the SMILES notation for (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone?
The canonical SMILES for (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone is CC(C)(C)c1csc(C(=O)C2CC2)n1.
What is the InChIKey of (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone?
The InChIKey is LPEREEILOIKLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-11(2,3)8-6-14-10(12-8)9(13)7-4-5-7/h6-7H,4-5H2,1-3H3.
What are the key properties of (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone?
(4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone has a molecular weight of 209.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone is sourced from PubChem (CID 143011801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).