5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride

C11H12ClN3O3S3 — CID 65204805

IUPAC5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
SMILESCC(C)c1nnsc1C(=O)NCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C11H12ClN3O3S3/c1-6(2)9-10(20-15-14-9)11(16)13-5-7-3-4-8(19-7)21(12,17)18/h3-4,6H,5H2,1-2H3,(H,13,16)
InChIKeyVHUULUKPDFSZPE-UHFFFAOYSA-N
MW365.89 g/mol
LogP2.58
Rot. Bonds5

About 5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride

5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride (PubChem CID 65204805) has the molecular formula C11H12ClN3O3S3 and a molecular weight of 365.89 g/mol. Its IUPAC name is 5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
PubChem CID65204805
Molecular FormulaC11H12ClN3O3S3
Molecular Weight365.89 g/mol
Exact Mass364.97
IUPAC Name5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
SMILESCC(C)c1nnsc1C(=O)NCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C11H12ClN3O3S3/c1-6(2)9-10(20-15-14-9)11(16)13-5-7-3-4-8(19-7)21(12,17)18/h3-4,6H,5H2,1-2H3,(H,13,16)
InChIKeyVHUULUKPDFSZPE-UHFFFAOYSA-N
XLogP2.58
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide
CID 65204670
5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride
CID 43173395
5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 43173405
5-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 66119937
5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363004
5-[[(4-bromobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363006
5-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 102801420
5-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43362975
5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 65368095
5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 107517313
5-[1-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiophene-2-sulfonyl chloride
CID 65200013
N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204185

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride (CID 65204805) is 5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride is CC(C)c1nnsc1C(=O)NCc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride?
The InChIKey is VHUULUKPDFSZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S3/c1-6(2)9-10(20-15-14-9)11(16)13-5-7-3-4-8(19-7)21(12,17)18/h3-4,6H,5H2,1-2H3,(H,13,16).
What are the key properties of 5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride?
5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride has a molecular weight of 365.89 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65204805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).