2-chloro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide

C9H2ClF6N3OS2 — CID 123377574

IUPAC2-chloro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ncc(C(F)(F)F)s1)c1sc(Cl)nc1C(F)(F)F
InChIInChI=1S/C9H2ClF6N3OS2/c10-6-18-4(9(14,15)16)3(22-6)5(20)19-7-17-1-2(21-7)8(11,12)13/h1H,(H,17,19,20)
InChIKeyQBMCPROADMNVSQ-UHFFFAOYSA-N
MW381.71 g/mol
LogP4.54
Rot. Bonds2

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

2-chloro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 123377574) has the molecular formula C9H2ClF6N3OS2 and a molecular weight of 381.71 g/mol. Its IUPAC name is 2-chloro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID123377574
Molecular FormulaC9H2ClF6N3OS2
Molecular Weight381.71 g/mol
Exact Mass380.92
IUPAC Name2-chloro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ncc(C(F)(F)F)s1)c1sc(Cl)nc1C(F)(F)F
InChIInChI=1S/C9H2ClF6N3OS2/c10-6-18-4(9(14,15)16)3(22-6)5(20)19-7-17-1-2(21-7)8(11,12)13/h1H,(H,17,19,20)
InChIKeyQBMCPROADMNVSQ-UHFFFAOYSA-N
XLogP4.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.71
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 49655898
CID 49655898
CID 142383500
CID 142383500
CID 84560383
CID 84560383
CID 84560475
CID 84560475
CID 84561344
CID 84561344
CID 84561345
CID 84561345
CID 110676711
CID 110676711
CID 948473
CID 948473
CID 124220406
CID 124220406
CID 17595081
CID 17595081
CID 28263143
CID 28263143
CID 40161739
CID 40161739

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide (CID 123377574) is 2-chloro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide is O=C(Nc1ncc(C(F)(F)F)s1)c1sc(Cl)nc1C(F)(F)F.
What is the InChIKey of 2-chloro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is QBMCPROADMNVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2ClF6N3OS2/c10-6-18-4(9(14,15)16)3(22-6)5(20)19-7-17-1-2(21-7)8(11,12)13/h1H,(H,17,19,20).
What are the key properties of 2-chloro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
2-chloro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 381.71 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 123377574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).