N-(2-hydroxyethyl)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide

C10H14F3N3O2S — CID 107483353

IUPACN-(2-hydroxyethyl)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H14F3N3O2S/c1-6(2)7-8(19-15-14-7)9(18)16(3-4-17)5-10(11,12)13/h6,17H,3-5H2,1-2H3
InChIKeyWZHOMQKEGAMJSB-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.66
Rot. Bonds5

About N-(2-hydroxyethyl)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide

N-(2-hydroxyethyl)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide (PubChem CID 107483353) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
PubChem CID107483353
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC NameN-(2-hydroxyethyl)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H14F3N3O2S/c1-6(2)7-8(19-15-14-7)9(18)16(3-4-17)5-10(11,12)13/h6,17H,3-5H2,1-2H3
InChIKeyWZHOMQKEGAMJSB-UHFFFAOYSA-N
XLogP1.66
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide (CID 107483353) is N-(2-hydroxyethyl)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The InChIKey is WZHOMQKEGAMJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-6(2)7-8(19-15-14-7)9(18)16(3-4-17)5-10(11,12)13/h6,17H,3-5H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
N-(2-hydroxyethyl)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide has a molecular weight of 297.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 107483353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).