4-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide

C17H21N3O2S — CID 46454338

IUPAC4-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2sc(C(C)C)nc2C)c1C
InChIInChI=1S/C17H21N3O2S/c1-9(2)17-19-11(4)14(23-17)16(22)20-13-8-6-7-12(10(13)3)15(21)18-5/h6-9H,1-5H3,(H,18,21)(H,20,22)
InChIKeyVWFSRMJNVWSQSG-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.50
Rot. Bonds4

About 4-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 46454338) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID46454338
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name4-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2sc(C(C)C)nc2C)c1C
InChIInChI=1S/C17H21N3O2S/c1-9(2)17-19-11(4)14(23-17)16(22)20-13-8-6-7-12(10(13)3)15(21)18-5/h6-9H,1-5H3,(H,18,21)(H,20,22)
InChIKeyVWFSRMJNVWSQSG-UHFFFAOYSA-N
XLogP3.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
CID 54996136
3-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78868309
N-(3,4-dichlorophenyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46450785
3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide
CID 79204866
N-[2-methyl-3-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 131905924
3-[(3-chloro-2-methylpropanoyl)amino]-N,2-dimethylbenzamide
CID 55110621
N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 71941859
3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide
CID 43734592
N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55899991
methyl 2-fluoro-5-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 75414818
3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide
CID 46461694
2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 52815770

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 46454338) is 4-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide is CNC(=O)c1cccc(NC(=O)c2sc(C(C)C)nc2C)c1C.
What is the InChIKey of 4-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is VWFSRMJNVWSQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-9(2)17-19-11(4)14(23-17)16(22)20-13-8-6-7-12(10(13)3)15(21)18-5/h6-9H,1-5H3,(H,18,21)(H,20,22).
What are the key properties of 4-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46454338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).