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

C19H21N5OS — CID 112818900

IUPACN-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C19H21N5OS/c25-18(17-13-5-1-2-6-14(13)22-23-17)20-12-7-8-15-16(11-12)26-19(21-15)24-9-3-4-10-24/h7-8,11H,1-6,9-10H2,(H,20,25)(H,22,23)
InChIKeyJIKFQKKTLCQHFY-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.75
Rot. Bonds3

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

N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 112818900) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID112818900
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C19H21N5OS/c25-18(17-13-5-1-2-6-14(13)22-23-17)20-12-7-8-15-16(11-12)26-19(21-15)24-9-3-4-10-24/h7-8,11H,1-6,9-10H2,(H,20,25)(H,22,23)
InChIKeyJIKFQKKTLCQHFY-UHFFFAOYSA-N
XLogP3.75
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 53298977
N-(2H-benzotriazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71918378
2-bromo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 42013873
2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 119839201
N-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110428948
1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 119839211
N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 46261514
(2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
CID 119839191
4-(pyrazol-1-ylmethyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 24599697
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 118618781
N-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 167806033
N-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 71700995

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 112818900) is N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is JIKFQKKTLCQHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c25-18(17-13-5-1-2-6-14(13)22-23-17)20-12-7-8-15-16(11-12)26-19(21-15)24-9-3-4-10-24/h7-8,11H,1-6,9-10H2,(H,20,25)(H,22,23).
What are the key properties of N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 112818900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).