3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide

C14H17N3OS — CID 54883427

IUPAC3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide
SMILESCCc1ncc(CNc2cccc(C(N)=O)c2C)s1
InChIInChI=1S/C14H17N3OS/c1-3-13-17-8-10(19-13)7-16-12-6-4-5-11(9(12)2)14(15)18/h4-6,8,16H,3,7H2,1-2H3,(H2,15,18)
InChIKeyVMJAHHYZYPMIQK-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.72
Rot. Bonds5

About 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide

3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide (PubChem CID 54883427) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide
PubChem CID54883427
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide
SMILESCCc1ncc(CNc2cccc(C(N)=O)c2C)s1
InChIInChI=1S/C14H17N3OS/c1-3-13-17-8-10(19-13)7-16-12-6-4-5-11(9(12)2)14(15)18/h4-6,8,16H,3,7H2,1-2H3,(H2,15,18)
InChIKeyVMJAHHYZYPMIQK-UHFFFAOYSA-N
XLogP2.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758134
2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 43694008
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline
CID 60983133
2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
CID 63656612
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline
CID 54883557
2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883651
4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylbenzoic acid
CID 54883669
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline
CID 60982356
3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide
CID 66385546
3-[(3-bromothiophen-2-yl)methylamino]-2-methylbenzamide
CID 115379961
2-(difluoromethylsulfanyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883167

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide?
The IUPAC name of 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide (CID 54883427) is 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide.
What is the SMILES notation for 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide?
The canonical SMILES for 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide is CCc1ncc(CNc2cccc(C(N)=O)c2C)s1.
What is the InChIKey of 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide?
The InChIKey is VMJAHHYZYPMIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-13-17-8-10(19-13)7-16-12-6-4-5-11(9(12)2)14(15)18/h4-6,8,16H,3,7H2,1-2H3,(H2,15,18).
What are the key properties of 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide?
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide has a molecular weight of 275.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide is sourced from PubChem (CID 54883427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).