4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide

C16H15N3OS2 — CID 71913528

IUPAC4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide
SMILESCc1ccc(C(N)=O)cc1NCc1cnc(-c2cccs2)s1
InChIInChI=1S/C16H15N3OS2/c1-10-4-5-11(15(17)20)7-13(10)18-8-12-9-19-16(22-12)14-3-2-6-21-14/h2-7,9,18H,8H2,1H3,(H2,17,20)
InChIKeyOEBLRFKBEAPPEF-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.89
Rot. Bonds5

About 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide

4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide (PubChem CID 71913528) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide
PubChem CID71913528
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide
SMILESCc1ccc(C(N)=O)cc1NCc1cnc(-c2cccs2)s1
InChIInChI=1S/C16H15N3OS2/c1-10-4-5-11(15(17)20)7-13(10)18-8-12-9-19-16(22-12)14-3-2-6-21-14/h2-7,9,18H,8H2,1H3,(H2,17,20)
InChIKeyOEBLRFKBEAPPEF-UHFFFAOYSA-N
XLogP3.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol
CID 99791904
N-ethyl-4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 60936738
2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 130667272
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 54868850
4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide
CID 71975057
N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 43726884
methyl 4-methyl-3-[(3-methylthiophen-2-yl)methylamino]benzoate
CID 43680502
N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 43739569
4-[(3-bromothiophen-2-yl)methylamino]-3-methylbenzamide
CID 113298001
[1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 111916796
3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol
CID 111916731
2-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 111977204

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide?
The IUPAC name of 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide (CID 71913528) is 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide.
What is the SMILES notation for 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide?
The canonical SMILES for 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide is Cc1ccc(C(N)=O)cc1NCc1cnc(-c2cccs2)s1.
What is the InChIKey of 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide?
The InChIKey is OEBLRFKBEAPPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-10-4-5-11(15(17)20)7-13(10)18-8-12-9-19-16(22-12)14-3-2-6-21-14/h2-7,9,18H,8H2,1H3,(H2,17,20).
What are the key properties of 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide?
4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide has a molecular weight of 329.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide is sourced from PubChem (CID 71913528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).