N-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide

C6H6ClN3OS — CID 115636693

IUPACN-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide
SMILESC=C(Cl)CNC(=O)c1cnsn1
InChIInChI=1S/C6H6ClN3OS/c1-4(7)2-8-6(11)5-3-9-12-10-5/h3H,1-2H2,(H,8,11)
InChIKeyINOHFKMGGPFIAV-UHFFFAOYSA-N
MW203.65 g/mol
LogP1.02
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide

N-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 115636693) has the molecular formula C6H6ClN3OS and a molecular weight of 203.65 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID115636693
Molecular FormulaC6H6ClN3OS
Molecular Weight203.65 g/mol
Exact Mass202.99
IUPAC NameN-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide
SMILESC=C(Cl)CNC(=O)c1cnsn1
InChIInChI=1S/C6H6ClN3OS/c1-4(7)2-8-6(11)5-3-9-12-10-5/h3H,1-2H2,(H,8,11)
InChIKeyINOHFKMGGPFIAV-UHFFFAOYSA-N
XLogP1.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.65
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-oxobutyl)-1,2,5-thiadiazole-3-carboxamide
CID 91648581
2-[[2-(1,2,5-thiadiazole-3-carbonylamino)acetyl]amino]acetic acid
CID 43522579
ethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate
CID 47257748
N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide
CID 115636783
N-[[4-(hydroxymethyl)phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 107232610
N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide
CID 63120256
N-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide
CID 7213179
(2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid
CID 107834931
2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid
CID 115429586
N-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide
CID 972624
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide
CID 63298702
N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 115636549

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide (CID 115636693) is N-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide is C=C(Cl)CNC(=O)c1cnsn1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is INOHFKMGGPFIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3OS/c1-4(7)2-8-6(11)5-3-9-12-10-5/h3H,1-2H2,(H,8,11).
What are the key properties of N-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide?
N-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 203.65 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 115636693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).