N,N-dimethyl-4-(1,3-thiazol-4-yl)benzamide

C12H12N2OS — CID 97050756

IUPACN,N-dimethyl-4-(1,3-thiazol-4-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2cscn2)cc1
InChIInChI=1S/C12H12N2OS/c1-14(2)12(15)10-5-3-9(4-6-10)11-7-16-8-13-11/h3-8H,1-2H3
InChIKeyYRMVSFTZOWKBBX-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.51
Rot. Bonds2

About N,N-dimethyl-4-(1,3-thiazol-4-yl)benzamide

N,N-dimethyl-4-(1,3-thiazol-4-yl)benzamide (PubChem CID 97050756) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N,N-dimethyl-4-(1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(1,3-thiazol-4-yl)benzamide
PubChem CID97050756
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN,N-dimethyl-4-(1,3-thiazol-4-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2cscn2)cc1
InChIInChI=1S/C12H12N2OS/c1-14(2)12(15)10-5-3-9(4-6-10)11-7-16-8-13-11/h3-8H,1-2H3
InChIKeyYRMVSFTZOWKBBX-UHFFFAOYSA-N
XLogP2.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1,3-thiazol-4-yl)benzamide?
The IUPAC name of N,N-dimethyl-4-(1,3-thiazol-4-yl)benzamide (CID 97050756) is N,N-dimethyl-4-(1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N,N-dimethyl-4-(1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N,N-dimethyl-4-(1,3-thiazol-4-yl)benzamide is CN(C)C(=O)c1ccc(-c2cscn2)cc1.
What is the InChIKey of N,N-dimethyl-4-(1,3-thiazol-4-yl)benzamide?
The InChIKey is YRMVSFTZOWKBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-14(2)12(15)10-5-3-9(4-6-10)11-7-16-8-13-11/h3-8H,1-2H3.
What are the key properties of N,N-dimethyl-4-(1,3-thiazol-4-yl)benzamide?
N,N-dimethyl-4-(1,3-thiazol-4-yl)benzamide has a molecular weight of 232.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 97050756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).