4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride

C8H6ClN3O3S3 — CID 63944847

IUPAC4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(NC(=O)c2cscn2)sc1S(=O)(=O)Cl
InChIInChI=1S/C8H6ClN3O3S3/c1-4-7(18(9,14)15)17-8(11-4)12-6(13)5-2-16-3-10-5/h2-3H,1H3,(H,11,12,13)
InChIKeyXVYNKTOBWUSWMV-UHFFFAOYSA-N
MW323.81 g/mol
LogP2.09
Rot. Bonds3

About 4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride

4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride (PubChem CID 63944847) has the molecular formula C8H6ClN3O3S3 and a molecular weight of 323.81 g/mol. Its IUPAC name is 4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride
PubChem CID63944847
Molecular FormulaC8H6ClN3O3S3
Molecular Weight323.81 g/mol
Exact Mass322.93
IUPAC Name4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(NC(=O)c2cscn2)sc1S(=O)(=O)Cl
InChIInChI=1S/C8H6ClN3O3S3/c1-4-7(18(9,14)15)17-8(11-4)12-6(13)5-2-16-3-10-5/h2-3H,1H3,(H,11,12,13)
InChIKeyXVYNKTOBWUSWMV-UHFFFAOYSA-N
XLogP2.09
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride (CID 63944847) is 4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride is Cc1nc(NC(=O)c2cscn2)sc1S(=O)(=O)Cl.
What is the InChIKey of 4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is XVYNKTOBWUSWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O3S3/c1-4-7(18(9,14)15)17-8(11-4)12-6(13)5-2-16-3-10-5/h2-3H,1H3,(H,11,12,13).
What are the key properties of 4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride?
4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 323.81 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 63944847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).