N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C16H17N5O3S2 — CID 53298977

IUPACN-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCS(=O)(=O)Nc1nc2ccc(NC(=O)c3n[nH]c4c3CCCC4)cc2s1
InChIInChI=1S/C16H17N5O3S2/c1-26(23,24)21-16-18-12-7-6-9(8-13(12)25-16)17-15(22)14-10-4-2-3-5-11(10)19-20-14/h6-8H,2-5H2,1H3,(H,17,22)(H,18,21)(H,19,20)
InChIKeyCVCROAVZKJYZAN-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.52
Rot. Bonds4

About N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 53298977) has the molecular formula C16H17N5O3S2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID53298977
Molecular FormulaC16H17N5O3S2
Molecular Weight391.48 g/mol
Exact Mass391.08
IUPAC NameN-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCS(=O)(=O)Nc1nc2ccc(NC(=O)c3n[nH]c4c3CCCC4)cc2s1
InChIInChI=1S/C16H17N5O3S2/c1-26(23,24)21-16-18-12-7-6-9(8-13(12)25-16)17-15(22)14-10-4-2-3-5-11(10)19-20-14/h6-8H,2-5H2,1H3,(H,17,22)(H,18,21)(H,19,20)
InChIKeyCVCROAVZKJYZAN-UHFFFAOYSA-N
XLogP2.52
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112818900
N-(2H-benzotriazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71918378
N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20930970
N-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110428948
N-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 167806033
2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide
CID 46291167
N-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 71700995
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide
CID 50765778
methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate
CID 110388929
N-(3,5-dimethylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388886
1-(3,4-dimethoxyphenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea
CID 46382427

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 53298977) is N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CS(=O)(=O)Nc1nc2ccc(NC(=O)c3n[nH]c4c3CCCC4)cc2s1.
What is the InChIKey of N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is CVCROAVZKJYZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S2/c1-26(23,24)21-16-18-12-7-6-9(8-13(12)25-16)17-15(22)14-10-4-2-3-5-11(10)19-20-14/h6-8H,2-5H2,1H3,(H,17,22)(H,18,21)(H,19,20).
What are the key properties of N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 53298977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).