N-(2,2-difluoro-3-hydroxypropyl)-4-propylthiadiazole-5-carboxamide

C9H13F2N3O2S — CID 106168079

IUPACN-(2,2-difluoro-3-hydroxypropyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H13F2N3O2S/c1-2-3-6-7(17-14-13-6)8(16)12-4-9(10,11)5-15/h15H,2-5H2,1H3,(H,12,16)
InChIKeyRCHBDAJTGNPGSB-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.85
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-4-propylthiadiazole-5-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 106168079) has the molecular formula C9H13F2N3O2S and a molecular weight of 265.28 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-4-propylthiadiazole-5-carboxamide
PubChem CID106168079
Molecular FormulaC9H13F2N3O2S
Molecular Weight265.28 g/mol
Exact Mass265.07
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H13F2N3O2S/c1-2-3-6-7(17-14-13-6)8(16)12-4-9(10,11)5-15/h15H,2-5H2,1H3,(H,12,16)
InChIKeyRCHBDAJTGNPGSB-UHFFFAOYSA-N
XLogP0.85
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 51073960
4-propyl-N-(tetrahydro-2H-pyran-4-yl)-N-(2,2,2-trifluoroethyl)-1,2,3-thiadiazole-5-carboxamide
CID 71796137
4-propyl-N-(2,2,2-trifluoroethyl)-1,2,3-thiadiazole-5-carboxamide
CID 45497132
2-[(4-Propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264820
N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide
CID 103015388
4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 103187265
N-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide
CID 103770476
N-(2,2-difluoro-3-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide
CID 104858059
4-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 105648536
4-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 105648620
N-(3,3-difluoro-2-hydroxypropyl)-4-propylthiadiazole-5-carboxamide
CID 105649059
N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 106168184

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-propylthiadiazole-5-carboxamide (CID 106168079) is N-(2,2-difluoro-3-hydroxypropyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is RCHBDAJTGNPGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2S/c1-2-3-6-7(17-14-13-6)8(16)12-4-9(10,11)5-15/h15H,2-5H2,1H3,(H,12,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-4-propylthiadiazole-5-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 106168079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).