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

C10H8F3N3OS2 — CID 84560383

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2scnc2C(F)(F)F)sc1C
InChIInChI=1S/C10H8F3N3OS2/c1-4-5(2)19-9(15-4)16-8(17)6-7(10(11,12)13)14-3-18-6/h3H,1-2H3,(H,15,16,17)
InChIKeyCRRCSWGBTCMYAQ-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.49
Rot. Bonds2

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84560383) has the molecular formula C10H8F3N3OS2 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84560383
Molecular FormulaC10H8F3N3OS2
Molecular Weight307.32 g/mol
Exact Mass307.01
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2scnc2C(F)(F)F)sc1C
InChIInChI=1S/C10H8F3N3OS2/c1-4-5(2)19-9(15-4)16-8(17)6-7(10(11,12)13)14-3-18-6/h3H,1-2H3,(H,15,16,17)
InChIKeyCRRCSWGBTCMYAQ-UHFFFAOYSA-N
XLogP3.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84560383) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2scnc2C(F)(F)F)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CRRCSWGBTCMYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS2/c1-4-5(2)19-9(15-4)16-8(17)6-7(10(11,12)13)14-3-18-6/h3H,1-2H3,(H,15,16,17).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 307.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84560383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).