3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

C13H15N3OS — CID 31289913

IUPAC3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCN(C)c1cccc(C(=O)/N=c2/sccn2C)c1
InChIInChI=1S/C13H15N3OS/c1-15(2)11-6-4-5-10(9-11)12(17)14-13-16(3)7-8-18-13/h4-9H,1-3H3/b14-13+
InChIKeyYNIPEAVLVKMBSZ-BUHFOSPRSA-N
MW261.35 g/mol
LogP1.89
Rot. Bonds2

About 3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 31289913) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID31289913
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCN(C)c1cccc(C(=O)/N=c2/sccn2C)c1
InChIInChI=1S/C13H15N3OS/c1-15(2)11-6-4-5-10(9-11)12(17)14-13-16(3)7-8-18-13/h4-9H,1-3H3/b14-13+
InChIKeyYNIPEAVLVKMBSZ-BUHFOSPRSA-N
XLogP1.89
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 31289913) is 3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is CN(C)c1cccc(C(=O)/N=c2/sccn2C)c1.
What is the InChIKey of 3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is YNIPEAVLVKMBSZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-15(2)11-6-4-5-10(9-11)12(17)14-13-16(3)7-8-18-13/h4-9H,1-3H3/b14-13+.
What are the key properties of 3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 261.35 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 31289913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).