N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanesulfonamide

C13H18N4O2S2 — CID 166366248

IUPACN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanesulfonamide
SMILESCn1nc(CNS(=O)(=O)Cc2cscn2)c2c1CCCC2
InChIInChI=1S/C13H18N4O2S2/c1-17-13-5-3-2-4-11(13)12(16-17)6-15-21(18,19)8-10-7-20-9-14-10/h7,9,15H,2-6,8H2,1H3
InChIKeyOIDNFQVUZMBJKJ-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.38
Rot. Bonds5

About N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanesulfonamide

N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanesulfonamide (PubChem CID 166366248) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanesulfonamide
PubChem CID166366248
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC NameN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanesulfonamide
SMILESCn1nc(CNS(=O)(=O)Cc2cscn2)c2c1CCCC2
InChIInChI=1S/C13H18N4O2S2/c1-17-13-5-3-2-4-11(13)12(16-17)6-15-21(18,19)8-10-7-20-9-14-10/h7,9,15H,2-6,8H2,1H3
InChIKeyOIDNFQVUZMBJKJ-UHFFFAOYSA-N
XLogP1.38
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanesulfonamide?
The IUPAC name of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanesulfonamide (CID 166366248) is N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanesulfonamide.
What is the SMILES notation for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanesulfonamide?
The canonical SMILES for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanesulfonamide is Cn1nc(CNS(=O)(=O)Cc2cscn2)c2c1CCCC2.
What is the InChIKey of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanesulfonamide?
The InChIKey is OIDNFQVUZMBJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-17-13-5-3-2-4-11(13)12(16-17)6-15-21(18,19)8-10-7-20-9-14-10/h7,9,15H,2-6,8H2,1H3.
What are the key properties of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanesulfonamide?
N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanesulfonamide has a molecular weight of 326.45 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanesulfonamide is sourced from PubChem (CID 166366248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).