(3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone

C10H9NOS2 — CID 130719213

IUPAC(3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)c2cc(C)ns2)c1
InChIInChI=1S/C10H9NOS2/c1-6-3-8(13-5-6)10(12)9-4-7(2)11-14-9/h3-5H,1-2H3
InChIKeyRTTYPOAEOLGTLK-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.05
Rot. Bonds2

About (3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone

(3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone (PubChem CID 130719213) has the molecular formula C10H9NOS2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone
PubChem CID130719213
Molecular FormulaC10H9NOS2
Molecular Weight223.32 g/mol
Exact Mass223.01
IUPAC Name(3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)c2cc(C)ns2)c1
InChIInChI=1S/C10H9NOS2/c1-6-3-8(13-5-6)10(12)9-4-7(2)11-14-9/h3-5H,1-2H3
InChIKeyRTTYPOAEOLGTLK-UHFFFAOYSA-N
XLogP3.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one
CID 130706192
(4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate
CID 24974935
(4-methylthiophen-2-yl)-[2,3,4-tris(4-methylthiophene-2-carbonyl)cyclobutyl]methanone
CID 101434742
3-methyl-1,2-thiazole-5-carboxylate;propan-2-ylazanium
CID 19738253
amino 4-methylthiophene-2-carboxylate
CID 175241543
1-(4-methylthiophen-2-yl)prop-2-en-1-one
CID 59450303
2-methyl-2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one
CID 131067756
2-(4-methylthiophene-2-carbonyl)propanedinitrile
CID 130992381
2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone
CID 18463545
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 110865517
N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide
CID 110861467
4-methyl-2-(3-methylbut-1-en-2-yl)thiophene
CID 126628471

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone (CID 130719213) is (3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone is Cc1csc(C(=O)c2cc(C)ns2)c1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone?
The InChIKey is RTTYPOAEOLGTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS2/c1-6-3-8(13-5-6)10(12)9-4-7(2)11-14-9/h3-5H,1-2H3.
What are the key properties of (3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone?
(3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone has a molecular weight of 223.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 130719213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).