N-(5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C9H6F3N3OS2 — CID 84560475

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1cnc(NC(=O)c2scnc2C(F)(F)F)s1
InChIInChI=1S/C9H6F3N3OS2/c1-4-2-13-8(18-4)15-7(16)5-6(9(10,11)12)14-3-17-5/h2-3H,1H3,(H,13,15,16)
InChIKeyDEDHESOZUPODND-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.18
Rot. Bonds2

About N-(5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84560475) has the molecular formula C9H6F3N3OS2 and a molecular weight of 293.30 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84560475
Molecular FormulaC9H6F3N3OS2
Molecular Weight293.30 g/mol
Exact Mass292.99
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1cnc(NC(=O)c2scnc2C(F)(F)F)s1
InChIInChI=1S/C9H6F3N3OS2/c1-4-2-13-8(18-4)15-7(16)5-6(9(10,11)12)14-3-17-5/h2-3H,1H3,(H,13,15,16)
InChIKeyDEDHESOZUPODND-UHFFFAOYSA-N
XLogP3.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 44192374
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CID 123377574
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CID 142383500
CID 142383500
CID 84560322
CID 84560322
CID 84560383
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CID 84561344
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CID 84561345
CID 84561345

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84560475) is N-(5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1cnc(NC(=O)c2scnc2C(F)(F)F)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DEDHESOZUPODND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3OS2/c1-4-2-13-8(18-4)15-7(16)5-6(9(10,11)12)14-3-17-5/h2-3H,1H3,(H,13,15,16).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 293.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84560475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).