2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one

C11H12N2OS2 — CID 170521186

IUPAC2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one
SMILESCc1nc(-c2nccs2)sc1C(=O)C(C)C
InChIInChI=1S/C11H12N2OS2/c1-6(2)8(14)9-7(3)13-11(16-9)10-12-4-5-15-10/h4-6H,1-3H3
InChIKeySEDOMCHLMXJDKI-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.41
Rot. Bonds3

About 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one

2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 170521186) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID170521186
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one
SMILESCc1nc(-c2nccs2)sc1C(=O)C(C)C
InChIInChI=1S/C11H12N2OS2/c1-6(2)8(14)9-7(3)13-11(16-9)10-12-4-5-15-10/h4-6H,1-3H3
InChIKeySEDOMCHLMXJDKI-UHFFFAOYSA-N
XLogP3.41
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-fluoro-2-methylpropyl)-4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole
CID 71288528
5-acetyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid
CID 106696108
1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 170582449
1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one
CID 171593762
5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 53257544
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 94588634
2-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 9043782
2-methyl-1-[4-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 18159950
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705
N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 23643979
4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134052697
5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbaldehyde
CID 88903662

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one (CID 170521186) is 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one is Cc1nc(-c2nccs2)sc1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is SEDOMCHLMXJDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-6(2)8(14)9-7(3)13-11(16-9)10-12-4-5-15-10/h4-6H,1-3H3.
What are the key properties of 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one?
2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 252.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 170521186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).