4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C18H18N4OS — CID 31155104

IUPAC4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(N(C)C)cc2)sc1-c1ccccn1
InChIInChI=1S/C18H18N4OS/c1-12-16(15-6-4-5-11-19-15)24-18(20-12)21-17(23)13-7-9-14(10-8-13)22(2)3/h4-11H,1-3H3,(H,20,21,23)
InChIKeyPGCADUCALCUDFO-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.83
Rot. Bonds4

About 4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 31155104) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID31155104
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(N(C)C)cc2)sc1-c1ccccn1
InChIInChI=1S/C18H18N4OS/c1-12-16(15-6-4-5-11-19-15)24-18(20-12)21-17(23)13-7-9-14(10-8-13)22(2)3/h4-11H,1-3H3,(H,20,21,23)
InChIKeyPGCADUCALCUDFO-UHFFFAOYSA-N
XLogP3.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31154800
6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 31519632
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
CID 31154524
2,6-difluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31171489
4-amino-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 31154743
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31157378
3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31154870
3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
CID 46511812
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 31519206
3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46493268
5-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 31153107
4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 31519461

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 31155104) is 4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is Cc1nc(NC(=O)c2ccc(N(C)C)cc2)sc1-c1ccccn1.
What is the InChIKey of 4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is PGCADUCALCUDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-16(15-6-4-5-11-19-15)24-18(20-12)21-17(23)13-7-9-14(10-8-13)22(2)3/h4-11H,1-3H3,(H,20,21,23).
What are the key properties of 4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 338.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 31155104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).