N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide

C14H17N3OS — CID 115688049

IUPACN,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
SMILESCc1csc(CNc2ccccc2C(=O)N(C)C)n1
InChIInChI=1S/C14H17N3OS/c1-10-9-19-13(16-10)8-15-12-7-5-4-6-11(12)14(18)17(2)3/h4-7,9,15H,8H2,1-3H3
InChIKeyGLSWJCUGDQPRIV-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.77
Rot. Bonds4

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

N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide (PubChem CID 115688049) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
PubChem CID115688049
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
SMILESCc1csc(CNc2ccccc2C(=O)N(C)C)n1
InChIInChI=1S/C14H17N3OS/c1-10-9-19-13(16-10)8-15-12-7-5-4-6-11(12)14(18)17(2)3/h4-7,9,15H,8H2,1-3H3
InChIKeyGLSWJCUGDQPRIV-UHFFFAOYSA-N
XLogP2.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115687991
N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688065
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide
CID 61044463
2-[(5-bromo-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 154735587
5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzoic acid
CID 62516219
3-chloro-2-N,2-N-dimethyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine
CID 115968319
3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 112578497
N,N-dimethyl-2-(pyridin-2-ylmethylamino)benzamide
CID 43738317
N,N-dimethyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]acetamide
CID 115633702
N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide
CID 78882971
4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzoic acid
CID 114907279
2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 143974434

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
The IUPAC name of N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide (CID 115688049) is N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
The canonical SMILES for N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide is Cc1csc(CNc2ccccc2C(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
The InChIKey is GLSWJCUGDQPRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-9-19-13(16-10)8-15-12-7-5-4-6-11(12)14(18)17(2)3/h4-7,9,15H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide has a molecular weight of 275.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide is sourced from PubChem (CID 115688049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).