4-(difluoromethyl)-N-prop-2-ynylthiadiazole-5-carboxamide

C7H5F2N3OS — CID 135153601

IUPAC4-(difluoromethyl)-N-prop-2-ynylthiadiazole-5-carboxamide
SMILESC#CCNC(=O)c1snnc1C(F)F
InChIInChI=1S/C7H5F2N3OS/c1-2-3-10-7(13)5-4(6(8)9)11-12-14-5/h1,6H,3H2,(H,10,13)
InChIKeyBJDHAROBKZHGLJ-UHFFFAOYSA-N
MW217.20 g/mol
LogP0.84
Rot. Bonds3

About 4-(difluoromethyl)-N-prop-2-ynylthiadiazole-5-carboxamide

4-(difluoromethyl)-N-prop-2-ynylthiadiazole-5-carboxamide (PubChem CID 135153601) has the molecular formula C7H5F2N3OS and a molecular weight of 217.20 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-prop-2-ynylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-prop-2-ynylthiadiazole-5-carboxamide
PubChem CID135153601
Molecular FormulaC7H5F2N3OS
Molecular Weight217.20 g/mol
Exact Mass217.01
IUPAC Name4-(difluoromethyl)-N-prop-2-ynylthiadiazole-5-carboxamide
SMILESC#CCNC(=O)c1snnc1C(F)F
InChIInChI=1S/C7H5F2N3OS/c1-2-3-10-7(13)5-4(6(8)9)11-12-14-5/h1,6H,3H2,(H,10,13)
InChIKeyBJDHAROBKZHGLJ-UHFFFAOYSA-N
XLogP0.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2,2,2-trifluoroethyl)-1,2,3-thiadiazole-5-carboxamide
CID 45497137
4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 51073960
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
N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide
CID 103015388
N-(3-amino-2,2-difluoropropyl)-4-methylthiadiazole-5-carboxamide
CID 114383613
N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide
CID 131065665
4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide
CID 136535944
N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-4-methylthiadiazole-5-carboxamide
CID 145879035
4-methyl-N-propylthiadiazole-5-carboxamide
CID 7576669
4-methyl-N-(2-methylpropyl)thiadiazole-5-carboxamide
CID 7576675

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-prop-2-ynylthiadiazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-prop-2-ynylthiadiazole-5-carboxamide (CID 135153601) is 4-(difluoromethyl)-N-prop-2-ynylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-prop-2-ynylthiadiazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-prop-2-ynylthiadiazole-5-carboxamide is C#CCNC(=O)c1snnc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-N-prop-2-ynylthiadiazole-5-carboxamide?
The InChIKey is BJDHAROBKZHGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3OS/c1-2-3-10-7(13)5-4(6(8)9)11-12-14-5/h1,6H,3H2,(H,10,13).
What are the key properties of 4-(difluoromethyl)-N-prop-2-ynylthiadiazole-5-carboxamide?
4-(difluoromethyl)-N-prop-2-ynylthiadiazole-5-carboxamide has a molecular weight of 217.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-prop-2-ynylthiadiazole-5-carboxamide is sourced from PubChem (CID 135153601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).