N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide

C15H17N3O2S — CID 60516181

IUPACN-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2scnc2C)c1
InChIInChI=1S/C15H17N3O2S/c1-3-16-14(19)12-6-4-5-11(7-12)8-17-15(20)13-10(2)18-9-21-13/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyCOBJOYKNFYVPRK-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.13
Rot. Bonds5

About N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 60516181) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID60516181
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2scnc2C)c1
InChIInChI=1S/C15H17N3O2S/c1-3-16-14(19)12-6-4-5-11(7-12)8-17-15(20)13-10(2)18-9-21-13/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyCOBJOYKNFYVPRK-UHFFFAOYSA-N
XLogP2.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 81090222
N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 43601238
N-[(4-aminophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60891064
5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55769960
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide
CID 133317052
3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide
CID 119734803
4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 43601937
N-[[3-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78899591
2-(aminomethyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119734832
4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide
CID 64991557
N-[2-[[N-ethyl-N'-[(3-methylphenyl)methyl]carbamimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide
CID 111900466

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 60516181) is N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is CCNC(=O)c1cccc(CNC(=O)c2scnc2C)c1.
What is the InChIKey of N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is COBJOYKNFYVPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-3-16-14(19)12-6-4-5-11(7-12)8-17-15(20)13-10(2)18-9-21-13/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 60516181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).