2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate

C7H10ClN3O4S2 — CID 83210333

IUPAC2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate
SMILESCc1nc(Cl)sc1S(=O)(=O)NCCOC(N)=O
InChIInChI=1S/C7H10ClN3O4S2/c1-4-5(16-6(8)11-4)17(13,14)10-2-3-15-7(9)12/h10H,2-3H2,1H3,(H2,9,12)
InChIKeyCNDLLULUAKXQCP-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.48
Rot. Bonds5

About 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate

2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate (PubChem CID 83210333) has the molecular formula C7H10ClN3O4S2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate
PubChem CID83210333
Molecular FormulaC7H10ClN3O4S2
Molecular Weight299.76 g/mol
Exact Mass298.98
IUPAC Name2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate
SMILESCc1nc(Cl)sc1S(=O)(=O)NCCOC(N)=O
InChIInChI=1S/C7H10ClN3O4S2/c1-4-5(16-6(8)11-4)17(13,14)10-2-3-15-7(9)12/h10H,2-3H2,1H3,(H2,9,12)
InChIKeyCNDLLULUAKXQCP-UHFFFAOYSA-N
XLogP0.48
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoate
CID 61053412
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-2-hydroxypropanamide
CID 106173704
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]butanoic acid
CID 61249811
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide
CID 61041117
2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide
CID 61053561
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate
CID 174649390
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 62844893
2-chloro-N-(2-methoxyethoxy)-4-methyl-1,3-thiazole-5-sulfonamide
CID 107856739
2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
CID 43456084
2-chloro-4-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
CID 61052463
2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 104858839
2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 103896643

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate?
The IUPAC name of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate (CID 83210333) is 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate.
What is the SMILES notation for 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate?
The canonical SMILES for 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate is Cc1nc(Cl)sc1S(=O)(=O)NCCOC(N)=O.
What is the InChIKey of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate?
The InChIKey is CNDLLULUAKXQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O4S2/c1-4-5(16-6(8)11-4)17(13,14)10-2-3-15-7(9)12/h10H,2-3H2,1H3,(H2,9,12).
What are the key properties of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate?
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate has a molecular weight of 299.76 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate is sourced from PubChem (CID 83210333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).