N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanesulfonamide

C13H18N4O2S2 — CID 90571049

IUPACN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanesulfonamide
SMILESCc1cc(C)n(-c2nc(CCNS(=O)(=O)C3CC3)cs2)n1
InChIInChI=1S/C13H18N4O2S2/c1-9-7-10(2)17(16-9)13-15-11(8-20-13)5-6-14-21(18,19)12-3-4-12/h7-8,12,14H,3-6H2,1-2H3
InChIKeyLJDGEOSXGCITRM-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.57
Rot. Bonds6

About N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanesulfonamide

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanesulfonamide (PubChem CID 90571049) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanesulfonamide
PubChem CID90571049
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanesulfonamide
SMILESCc1cc(C)n(-c2nc(CCNS(=O)(=O)C3CC3)cs2)n1
InChIInChI=1S/C13H18N4O2S2/c1-9-7-10(2)17(16-9)13-15-11(8-20-13)5-6-14-21(18,19)12-3-4-12/h7-8,12,14H,3-6H2,1-2H3
InChIKeyLJDGEOSXGCITRM-UHFFFAOYSA-N
XLogP1.57
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 90570810
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,4-difluorobenzenesulfonamide
CID 90571032
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-fluorobenzenesulfonamide
CID 90571042
2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole
CID 63810056
ethyl 4-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethylamino]-4-oxobutanoate
CID 71802072
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide
CID 71802075
4-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 90570959
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
CID 71802085
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide
CID 90570879
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 90570906
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-4-phenylbenzamide
CID 90570882
1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 90570929

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanesulfonamide (CID 90571049) is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanesulfonamide is Cc1cc(C)n(-c2nc(CCNS(=O)(=O)C3CC3)cs2)n1.
What is the InChIKey of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanesulfonamide?
The InChIKey is LJDGEOSXGCITRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-9-7-10(2)17(16-9)13-15-11(8-20-13)5-6-14-21(18,19)12-3-4-12/h7-8,12,14H,3-6H2,1-2H3.
What are the key properties of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanesulfonamide?
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 326.45 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 90571049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).