1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanone

C12H17NOS2 — CID 82436764

IUPAC1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(CSC(C)C)nc1C1CC1
InChIInChI=1S/C12H17NOS2/c1-7(2)15-6-10-13-11(9-4-5-9)12(16-10)8(3)14/h7,9H,4-6H2,1-3H3
InChIKeyNZBGJURIPWIXOC-UHFFFAOYSA-N
MW255.41 g/mol
LogP3.86
Rot. Bonds5

About 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanone

1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 82436764) has the molecular formula C12H17NOS2 and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID82436764
Molecular FormulaC12H17NOS2
Molecular Weight255.41 g/mol
Exact Mass255.08
IUPAC Name1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(CSC(C)C)nc1C1CC1
InChIInChI=1S/C12H17NOS2/c1-7(2)15-6-10-13-11(9-4-5-9)12(16-10)8(3)14/h7,9H,4-6H2,1-3H3
InChIKeyNZBGJURIPWIXOC-UHFFFAOYSA-N
XLogP3.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 82437515
1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 82436767
2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 65131458
N-[[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82436752
1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone
CID 159715371
4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226918
1-[2-(cyclohexylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone
CID 82434440
1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82436503
[2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 114361967
2-[(4-chlorophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360231
4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide
CID 82436727
4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid
CID 94970667

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanone (CID 82436764) is 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(CSC(C)C)nc1C1CC1.
What is the InChIKey of 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is NZBGJURIPWIXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS2/c1-7(2)15-6-10-13-11(9-4-5-9)12(16-10)8(3)14/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanone?
1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 255.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82436764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).