2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide

C8H11ClN4O2S2 — CID 106338129

IUPAC2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C8H11ClN4O2S2/c1-2-12-17(14,15)4-3-11-8-13-7(9)6(5-10)16-8/h12H,2-4H2,1H3,(H,11,13)
InChIKeyIMCPJUNBAMLEAF-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.02
Rot. Bonds6

About 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide

2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide (PubChem CID 106338129) has the molecular formula C8H11ClN4O2S2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide
PubChem CID106338129
Molecular FormulaC8H11ClN4O2S2
Molecular Weight294.79 g/mol
Exact Mass294.00
IUPAC Name2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C8H11ClN4O2S2/c1-2-12-17(14,15)4-3-11-8-13-7(9)6(5-10)16-8/h12H,2-4H2,1H3,(H,11,13)
InChIKeyIMCPJUNBAMLEAF-UHFFFAOYSA-N
XLogP1.02
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide (CID 106338129) is 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1nc(Cl)c(C#N)s1.
What is the InChIKey of 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide?
The InChIKey is IMCPJUNBAMLEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2S2/c1-2-12-17(14,15)4-3-11-8-13-7(9)6(5-10)16-8/h12H,2-4H2,1H3,(H,11,13).
What are the key properties of 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide?
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide has a molecular weight of 294.79 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106338129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).