N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide

C14H9F3N4OS — CID 167869882

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCc1cccc2sc(NC(=O)c3cnc(C(F)(F)F)nc3)nc12
InChIInChI=1S/C14H9F3N4OS/c1-7-3-2-4-9-10(7)20-13(23-9)21-11(22)8-5-18-12(19-6-8)14(15,16)17/h2-6H,1H3,(H,20,21,22)
InChIKeyRJDPPWYYOSVQBY-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.67
Rot. Bonds2

About N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide

N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 167869882) has the molecular formula C14H9F3N4OS and a molecular weight of 338.31 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID167869882
Molecular FormulaC14H9F3N4OS
Molecular Weight338.31 g/mol
Exact Mass338.04
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCc1cccc2sc(NC(=O)c3cnc(C(F)(F)F)nc3)nc12
InChIInChI=1S/C14H9F3N4OS/c1-7-3-2-4-9-10(7)20-13(23-9)21-11(22)8-5-18-12(19-6-8)14(15,16)17/h2-6H,1H3,(H,20,21,22)
InChIKeyRJDPPWYYOSVQBY-UHFFFAOYSA-N
XLogP3.67
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 34555190
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 8840391
N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266872
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7579181
4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4551607
4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 5072919
3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 18138512
2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16914998
2-[4-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500585

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide (CID 167869882) is N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide is Cc1cccc2sc(NC(=O)c3cnc(C(F)(F)F)nc3)nc12.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is RJDPPWYYOSVQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4OS/c1-7-3-2-4-9-10(7)20-13(23-9)21-11(22)8-5-18-12(19-6-8)14(15,16)17/h2-6H,1H3,(H,20,21,22).
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 338.31 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 167869882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).