N,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide

C18H20N4OS — CID 135104076

IUPACN,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide
SMILESCN(Cc1nc2c(s1)CCCC2)C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C18H20N4OS/c1-21(11-16-19-13-8-4-6-10-15(13)24-16)18(23)17-12-7-3-5-9-14(12)22(2)20-17/h3,5,7,9H,4,6,8,10-11H2,1-2H3
InChIKeyDNAVSOJZJBSFLZ-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.18
Rot. Bonds3

About N,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide

N,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide (PubChem CID 135104076) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide
PubChem CID135104076
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide
SMILESCN(Cc1nc2c(s1)CCCC2)C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C18H20N4OS/c1-21(11-16-19-13-8-4-6-10-15(13)24-16)18(23)17-12-7-3-5-9-14(12)22(2)20-17/h3,5,7,9H,4,6,8,10-11H2,1-2H3
InChIKeyDNAVSOJZJBSFLZ-UHFFFAOYSA-N
XLogP3.18
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N,1-dimethylindazole-3-carboxamide
CID 110851100
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 122144804
N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide
CID 103117269
3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
CID 119884767
N-methyl-2-(oxolan-2-ylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide
CID 126784780
2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119884791
(2R)-2-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide;dihydrochloride
CID 119884776
N-methyl-2-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide;hydrochloride
CID 120704873
N,1-dimethyl-N-phenylindazole-3-carboxamide
CID 110856917
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1-azabicyclo[2.2.2]octane-2-carboxamide
CID 138810149
N-[2-[[ethylamino-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide
CID 111991867
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide
CID 103117931

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide (CID 135104076) is N,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide is CN(Cc1nc2c(s1)CCCC2)C(=O)c1nn(C)c2ccccc12.
What is the InChIKey of N,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide?
The InChIKey is DNAVSOJZJBSFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-21(11-16-19-13-8-4-6-10-15(13)24-16)18(23)17-12-7-3-5-9-14(12)22(2)20-17/h3,5,7,9H,4,6,8,10-11H2,1-2H3.
What are the key properties of N,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide?
N,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide is sourced from PubChem (CID 135104076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).