2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide

C7H7Cl2N3OS — CID 139221869

IUPAC2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1nnc(NC(=O)C2CC2(Cl)Cl)s1
InChIInChI=1S/C7H7Cl2N3OS/c1-3-11-12-6(14-3)10-5(13)4-2-7(4,8)9/h4H,2H2,1H3,(H,10,12,13)
InChIKeyZYTOPEZTSRTLQH-UHFFFAOYSA-N
MW252.13 g/mol
LogP1.98
Rot. Bonds2

About 2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide

2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 139221869) has the molecular formula C7H7Cl2N3OS and a molecular weight of 252.13 g/mol. Its IUPAC name is 2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID139221869
Molecular FormulaC7H7Cl2N3OS
Molecular Weight252.13 g/mol
Exact Mass250.97
IUPAC Name2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1nnc(NC(=O)C2CC2(Cl)Cl)s1
InChIInChI=1S/C7H7Cl2N3OS/c1-3-11-12-6(14-3)10-5(13)4-2-7(4,8)9/h4H,2H2,1H3,(H,10,12,13)
InChIKeyZYTOPEZTSRTLQH-UHFFFAOYSA-N
XLogP1.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.13
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (CID 139221869) is 2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is Cc1nnc(NC(=O)C2CC2(Cl)Cl)s1.
What is the InChIKey of 2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is ZYTOPEZTSRTLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3OS/c1-3-11-12-6(14-3)10-5(13)4-2-7(4,8)9/h4H,2H2,1H3,(H,10,12,13).
What are the key properties of 2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 252.13 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 139221869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).