(E)-4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-2-en-1-one

C10H13NOS — CID 10867230

IUPAC(E)-4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-2-en-1-one
SMILESCc1ncsc1C(=O)/C=C/C(C)C
InChIInChI=1S/C10H13NOS/c1-7(2)4-5-9(12)10-8(3)11-6-13-10/h4-7H,1-3H3/b5-4+
InChIKeyBEKIREVHBCAFJC-SNAWJCMRSA-N
MW195.29 g/mol
LogP2.85
Rot. Bonds3

About (E)-4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-2-en-1-one

(E)-4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-2-en-1-one (PubChem CID 10867230) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is (E)-4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-2-en-1-one.

Molecular Properties

Compound Name(E)-4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-2-en-1-one
PubChem CID10867230
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name(E)-4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-2-en-1-one
SMILESCc1ncsc1C(=O)/C=C/C(C)C
InChIInChI=1S/C10H13NOS/c1-7(2)4-5-9(12)10-8(3)11-6-13-10/h4-7H,1-3H3/b5-4+
InChIKeyBEKIREVHBCAFJC-SNAWJCMRSA-N
XLogP2.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-methoxyphenyl)-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 169042141
2-methyl-3-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanal
CID 174781846
(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 47028560
(E)-3-(3-methoxyphenyl)-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 169042140
(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 169042143
N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 130948721
N,4-dimethyl-N-[(2S)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
CID 94112885
N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
CID 94112886
(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 46428352
N-(1-cyclopropylethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 51080851
1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-one
CID 105108266
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 76928134

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-2-en-1-one?
The IUPAC name of (E)-4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-2-en-1-one (CID 10867230) is (E)-4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-2-en-1-one.
What is the SMILES notation for (E)-4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-2-en-1-one?
The canonical SMILES for (E)-4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-2-en-1-one is Cc1ncsc1C(=O)/C=C/C(C)C.
What is the InChIKey of (E)-4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-2-en-1-one?
The InChIKey is BEKIREVHBCAFJC-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7(2)4-5-9(12)10-8(3)11-6-13-10/h4-7H,1-3H3/b5-4+.
What are the key properties of (E)-4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-2-en-1-one?
(E)-4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-2-en-1-one has a molecular weight of 195.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-2-en-1-one is sourced from PubChem (CID 10867230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).