2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide

C8H10ClN5O2S2 — CID 63330108

IUPAC2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide
SMILESCn1cnnc1CCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H10ClN5O2S2/c1-14-5-11-13-6(14)2-3-12-18(15,16)7-4-10-8(9)17-7/h4-5,12H,2-3H2,1H3
InChIKeyVFGFTFGNUKWPHG-UHFFFAOYSA-N
MW307.79 g/mol
LogP0.45
Rot. Bonds5

About 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide (PubChem CID 63330108) has the molecular formula C8H10ClN5O2S2 and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide
PubChem CID63330108
Molecular FormulaC8H10ClN5O2S2
Molecular Weight307.79 g/mol
Exact Mass307.00
IUPAC Name2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide
SMILESCn1cnnc1CCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H10ClN5O2S2/c1-14-5-11-13-6(14)2-3-12-18(15,16)7-4-10-8(9)17-7/h4-5,12H,2-3H2,1H3
InChIKeyVFGFTFGNUKWPHG-UHFFFAOYSA-N
XLogP0.45
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 61047274
2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 114170773
3-bromo-4-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 106612272
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 64587074
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 106396401
2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 61051529
4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106064146
2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide
CID 104760009
2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 65231952
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 107124058
3-amino-5-chloro-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63332712
3-amino-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63332490

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide (CID 63330108) is 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide is Cn1cnnc1CCNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is VFGFTFGNUKWPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O2S2/c1-14-5-11-13-6(14)2-3-12-18(15,16)7-4-10-8(9)17-7/h4-5,12H,2-3H2,1H3.
What are the key properties of 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 307.79 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63330108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).