1-(2,4-dimethyl-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one

C10H15NOS — CID 58157589

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one
SMILESCc1nc(C)c(C(=O)C(C)(C)C)s1
InChIInChI=1S/C10H15NOS/c1-6-8(13-7(2)11-6)9(12)10(3,4)5/h1-5H3
InChIKeyLGWRAUOTPXQILN-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.99
Rot. Bonds1

About 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one

1-(2,4-dimethyl-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one (PubChem CID 58157589) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one
PubChem CID58157589
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one
SMILESCc1nc(C)c(C(=O)C(C)(C)C)s1
InChIInChI=1S/C10H15NOS/c1-6-8(13-7(2)11-6)9(12)10(3,4)5/h1-5H3
InChIKeyLGWRAUOTPXQILN-UHFFFAOYSA-N
XLogP2.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one (CID 58157589) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one is Cc1nc(C)c(C(=O)C(C)(C)C)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one?
The InChIKey is LGWRAUOTPXQILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-6-8(13-7(2)11-6)9(12)10(3,4)5/h1-5H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one has a molecular weight of 197.30 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58157589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).