N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide

C17H10F3N3O2S — CID 1077837

IUPACN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H10F3N3O2S/c18-17(19,20)15-22-23-16(26-15)21-14(24)13-9-5-1-3-7-11(9)25-12-8-4-2-6-10(12)13/h1-8,13H,(H,21,23,24)
InChIKeyLQTDNABTUIFZIK-UHFFFAOYSA-N
MW377.35 g/mol
LogP4.43
Rot. Bonds2

About N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide

N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide (PubChem CID 1077837) has the molecular formula C17H10F3N3O2S and a molecular weight of 377.35 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide
PubChem CID1077837
Molecular FormulaC17H10F3N3O2S
Molecular Weight377.35 g/mol
Exact Mass377.04
IUPAC NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H10F3N3O2S/c18-17(19,20)15-22-23-16(26-15)21-14(24)13-9-5-1-3-7-11(9)25-12-8-4-2-6-10(12)13/h1-8,13H,(H,21,23,24)
InChIKeyLQTDNABTUIFZIK-UHFFFAOYSA-N
XLogP4.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide
CID 2229462
N-(4-anilinophenyl)-9H-xanthene-9-carboxamide
CID 4104080
2-fluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077801
2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3386345
benzyl N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 119005534
2-phenylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 542592
4-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2175175
2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279554
1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 71672993
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-9H-xanthene-9-carboxamide
CID 1358705
(2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 795494
2,2-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 784732

Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide (CID 1077837) is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide is O=C(Nc1nnc(C(F)(F)F)s1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide?
The InChIKey is LQTDNABTUIFZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O2S/c18-17(19,20)15-22-23-16(26-15)21-14(24)13-9-5-1-3-7-11(9)25-12-8-4-2-6-10(12)13/h1-8,13H,(H,21,23,24).
What are the key properties of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide?
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide has a molecular weight of 377.35 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 1077837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).