2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide

C8H13ClN2O4S2 — CID 61047405

IUPAC2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C8H13ClN2O4S2/c1-6-7(16-8(9)10-6)17(14,15)11(2-4-12)3-5-13/h12-13H,2-5H2,1H3
InChIKeyOFIBPFPDYNTHJH-UHFFFAOYSA-N
MW300.79 g/mol
LogP0.08
Rot. Bonds6

About 2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 61047405) has the molecular formula C8H13ClN2O4S2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID61047405
Molecular FormulaC8H13ClN2O4S2
Molecular Weight300.79 g/mol
Exact Mass300.00
IUPAC Name2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C8H13ClN2O4S2/c1-6-7(16-8(9)10-6)17(14,15)11(2-4-12)3-5-13/h12-13H,2-5H2,1H3
InChIKeyOFIBPFPDYNTHJH-UHFFFAOYSA-N
XLogP0.08
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61046493
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
CID 61046346
methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate
CID 61047061
2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide
CID 61053573
2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61052666
2-chloro-N-cyclopropyl-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 43456224
N-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide
CID 61042427
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 113248627
2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
CID 103768578
2-chloro-N,N-bis(2-hydroxyethyl)-1,3-benzothiazole-6-sulfonamide
CID 58454473
2-chloro-N-cyclopropyl-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide
CID 54979773
N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 60744536

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 61047405) is 2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)N(CCO)CCO.
What is the InChIKey of 2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is OFIBPFPDYNTHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O4S2/c1-6-7(16-8(9)10-6)17(14,15)11(2-4-12)3-5-13/h12-13H,2-5H2,1H3.
What are the key properties of 2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 300.79 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61047405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).