N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide

C16H18N4O2S2 — CID 58621208

IUPACN-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCCc1nn(-c2sc(C)nc2NS(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C16H18N4O2S2/c1-4-14-11(2)10-20(18-14)16-15(17-12(3)23-16)19-24(21,22)13-8-6-5-7-9-13/h5-10,19H,4H2,1-3H3
InChIKeyHMTOWSVSKYMOTP-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.31
Rot. Bonds5

About N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide

N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 58621208) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID58621208
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC NameN-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCCc1nn(-c2sc(C)nc2NS(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C16H18N4O2S2/c1-4-14-11(2)10-20(18-14)16-15(17-12(3)23-16)19-24(21,22)13-8-6-5-7-9-13/h5-10,19H,4H2,1-3H3
InChIKeyHMTOWSVSKYMOTP-UHFFFAOYSA-N
XLogP3.31
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide (CID 58621208) is N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide is CCc1nn(-c2sc(C)nc2NS(=O)(=O)c2ccccc2)cc1C.
What is the InChIKey of N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is HMTOWSVSKYMOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-4-14-11(2)10-20(18-14)16-15(17-12(3)23-16)19-24(21,22)13-8-6-5-7-9-13/h5-10,19H,4H2,1-3H3.
What are the key properties of N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 362.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 58621208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).