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

C10H15ClN2O3S2 — CID 63944455

IUPAC4-methyl-2-(2-methylpentanoylamino)-1,3-thiazole-5-sulfonyl chloride
SMILESCCCC(C)C(=O)Nc1nc(C)c(S(=O)(=O)Cl)s1
InChIInChI=1S/C10H15ClN2O3S2/c1-4-5-6(2)8(14)13-10-12-7(3)9(17-10)18(11,15)16/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyANLDHPQNTICZDU-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.75
Rot. Bonds5

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

4-methyl-2-(2-methylpentanoylamino)-1,3-thiazole-5-sulfonyl chloride (PubChem CID 63944455) has the molecular formula C10H15ClN2O3S2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpentanoylamino)-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-methyl-2-(2-methylpentanoylamino)-1,3-thiazole-5-sulfonyl chloride
PubChem CID63944455
Molecular FormulaC10H15ClN2O3S2
Molecular Weight310.83 g/mol
Exact Mass310.02
IUPAC Name4-methyl-2-(2-methylpentanoylamino)-1,3-thiazole-5-sulfonyl chloride
SMILESCCCC(C)C(=O)Nc1nc(C)c(S(=O)(=O)Cl)s1
InChIInChI=1S/C10H15ClN2O3S2/c1-4-5-6(2)8(14)13-10-12-7(3)9(17-10)18(11,15)16/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyANLDHPQNTICZDU-UHFFFAOYSA-N
XLogP2.75
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpentanoylamino)-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 4-methyl-2-(2-methylpentanoylamino)-1,3-thiazole-5-sulfonyl chloride (CID 63944455) is 4-methyl-2-(2-methylpentanoylamino)-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 4-methyl-2-(2-methylpentanoylamino)-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 4-methyl-2-(2-methylpentanoylamino)-1,3-thiazole-5-sulfonyl chloride is CCCC(C)C(=O)Nc1nc(C)c(S(=O)(=O)Cl)s1.
What is the InChIKey of 4-methyl-2-(2-methylpentanoylamino)-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is ANLDHPQNTICZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S2/c1-4-5-6(2)8(14)13-10-12-7(3)9(17-10)18(11,15)16/h6H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 4-methyl-2-(2-methylpentanoylamino)-1,3-thiazole-5-sulfonyl chloride?
4-methyl-2-(2-methylpentanoylamino)-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 310.83 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpentanoylamino)-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 63944455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).