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

C7H9F2N3O2S — CID 103015388

IUPACN-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C7H9F2N3O2S/c1-4-5(15-12-11-4)6(14)10-2-7(8,9)3-13/h13H,2-3H2,1H3,(H,10,14)
InChIKeyRVUGOWPVEYJEDP-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.20
Rot. Bonds4

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

N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 103015388) has the molecular formula C7H9F2N3O2S and a molecular weight of 237.23 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide
PubChem CID103015388
Molecular FormulaC7H9F2N3O2S
Molecular Weight237.23 g/mol
Exact Mass237.04
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C7H9F2N3O2S/c1-4-5(15-12-11-4)6(14)10-2-7(8,9)3-13/h13H,2-3H2,1H3,(H,10,14)
InChIKeyRVUGOWPVEYJEDP-UHFFFAOYSA-N
XLogP0.20
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethyl-2-hydroxyethyl)(4-methyl(1,2,3-thiadiazol-5-yl))carboxamide
CID 6852055
4-methyl-N-(2,2,2-trifluoroethyl)-1,2,3-thiadiazole-5-carboxamide
CID 45497137
N-((1-(hydroxymethyl)cyclopropyl)methyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 49739075
4-(difluoromethyl)-N-prop-2-ynylthiadiazole-5-carboxamide
CID 135153601
4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide
CID 135153691
4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide
CID 142383518
4-(difluoromethyl)-N-prop-2-enylthiadiazole-5-carboxamide
CID 142383522
4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 102979954
N-(3,3-difluoro-2-hydroxypropyl)-4-methylthiadiazole-5-carboxamide
CID 103579476
N-(2,2-difluoro-3-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide
CID 104858059
N-(2,2-difluoro-3-hydroxypropyl)-4-propylthiadiazole-5-carboxamide
CID 106168079
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-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide (CID 103015388) is N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is RVUGOWPVEYJEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2S/c1-4-5(15-12-11-4)6(14)10-2-7(8,9)3-13/h13H,2-3H2,1H3,(H,10,14).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 237.23 g/mol, XLogP of 0.20, 4 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-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 103015388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).