azane;3-(2-methylphenyl)-2H-1,3-thiazole-4-carboxamide

C11H15N3OS — CID 174787202

IUPACazane;3-(2-methylphenyl)-2H-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1N1CSC=C1C(N)=O.N
InChIInChI=1S/C11H12N2OS.H3N/c1-8-4-2-3-5-9(8)13-7-15-6-10(13)11(12)14;/h2-6H,7H2,1H3,(H2,12,14);1H3
InChIKeyLUNWWPYJTJFTLW-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.99
Rot. Bonds2

About azane;3-(2-methylphenyl)-2H-1,3-thiazole-4-carboxamide

azane;3-(2-methylphenyl)-2H-1,3-thiazole-4-carboxamide (PubChem CID 174787202) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is azane;3-(2-methylphenyl)-2H-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Nameazane;3-(2-methylphenyl)-2H-1,3-thiazole-4-carboxamide
PubChem CID174787202
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Nameazane;3-(2-methylphenyl)-2H-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1N1CSC=C1C(N)=O.N
InChIInChI=1S/C11H12N2OS.H3N/c1-8-4-2-3-5-9(8)13-7-15-6-10(13)11(12)14;/h2-6H,7H2,1H3,(H2,12,14);1H3
InChIKeyLUNWWPYJTJFTLW-UHFFFAOYSA-N
XLogP1.99
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 154168630
4,5-dimethyl-3-(2-methylphenyl)-2H-1,3-thiazole;hydrochloride
CID 173073236
5-amino-1-(2-methylphenyl)triazole-4-carboxylic acid
CID 82285356
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677
3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 91675755
3-acetyl-1-(2-methylphenyl)pyrrolidine-2,4-dione
CID 67764530
(2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 171323293
2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide
CID 175734660
3-(2-methylphenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009778
3,3-dimethyl-1-(2-methylphenyl)-1,4-diazepane-2,5-dione
CID 64959301
ethyl (3R,4S)-1-(2-methylphenyl)-2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 102503671
5-amino-3-benzoyl-1-(2-methylphenyl)-2,3-dihydropyrrole-4-carbonitrile
CID 175605812

Frequently Asked Questions

What is the IUPAC name of azane;3-(2-methylphenyl)-2H-1,3-thiazole-4-carboxamide?
The IUPAC name of azane;3-(2-methylphenyl)-2H-1,3-thiazole-4-carboxamide (CID 174787202) is azane;3-(2-methylphenyl)-2H-1,3-thiazole-4-carboxamide.
What is the SMILES notation for azane;3-(2-methylphenyl)-2H-1,3-thiazole-4-carboxamide?
The canonical SMILES for azane;3-(2-methylphenyl)-2H-1,3-thiazole-4-carboxamide is Cc1ccccc1N1CSC=C1C(N)=O.N.
What is the InChIKey of azane;3-(2-methylphenyl)-2H-1,3-thiazole-4-carboxamide?
The InChIKey is LUNWWPYJTJFTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS.H3N/c1-8-4-2-3-5-9(8)13-7-15-6-10(13)11(12)14;/h2-6H,7H2,1H3,(H2,12,14);1H3.
What are the key properties of azane;3-(2-methylphenyl)-2H-1,3-thiazole-4-carboxamide?
azane;3-(2-methylphenyl)-2H-1,3-thiazole-4-carboxamide has a molecular weight of 237.33 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-(2-methylphenyl)-2H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 174787202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).