N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

C10H16F2N4O2S — CID 107486060

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(CCO)CC(F)F)s1
InChIInChI=1S/C10H16F2N4O2S/c1-2-3-13-10-15-14-8(19-10)9(18)16(4-5-17)6-7(11)12/h7,17H,2-6H2,1H3,(H,13,15)
InChIKeyPARBMKBBLRHYLE-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.06
Rot. Bonds8

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 107486060) has the molecular formula C10H16F2N4O2S and a molecular weight of 294.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID107486060
Molecular FormulaC10H16F2N4O2S
Molecular Weight294.33 g/mol
Exact Mass294.10
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(CCO)CC(F)F)s1
InChIInChI=1S/C10H16F2N4O2S/c1-2-3-13-10-15-14-8(19-10)9(18)16(4-5-17)6-7(11)12/h7,17H,2-6H2,1H3,(H,13,15)
InChIKeyPARBMKBBLRHYLE-UHFFFAOYSA-N
XLogP1.06
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 107486060) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)N(CCO)CC(F)F)s1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is PARBMKBBLRHYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O2S/c1-2-3-13-10-15-14-8(19-10)9(18)16(4-5-17)6-7(11)12/h7,17H,2-6H2,1H3,(H,13,15).
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 107486060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).