N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarbothioamide

C19H16N4S2 — CID 164718182

IUPACN-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarbothioamide
SMILESCc1ccc2[nH]ncc2c1-c1ccc2nc(NC(=S)C3CC3)sc2c1
InChIInChI=1S/C19H16N4S2/c1-10-2-6-14-13(9-20-23-14)17(10)12-5-7-15-16(8-12)25-19(21-15)22-18(24)11-3-4-11/h2,5-9,11H,3-4H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyMTWSOBMUTUOAFF-UHFFFAOYSA-N
MW364.50 g/mol
LogP5.30
Rot. Bonds3

About N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarbothioamide

N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarbothioamide (PubChem CID 164718182) has the molecular formula C19H16N4S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarbothioamide.

Molecular Properties

Compound NameN-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarbothioamide
PubChem CID164718182
Molecular FormulaC19H16N4S2
Molecular Weight364.50 g/mol
Exact Mass364.08
IUPAC NameN-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarbothioamide
SMILESCc1ccc2[nH]ncc2c1-c1ccc2nc(NC(=S)C3CC3)sc2c1
InChIInChI=1S/C19H16N4S2/c1-10-2-6-14-13(9-20-23-14)17(10)12-5-7-15-16(8-12)25-19(21-15)22-18(24)11-3-4-11/h2,5-9,11H,3-4H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyMTWSOBMUTUOAFF-UHFFFAOYSA-N
XLogP5.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarbothioamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarbothioamide?
The IUPAC name of N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarbothioamide (CID 164718182) is N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarbothioamide.
What is the SMILES notation for N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarbothioamide?
The canonical SMILES for N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarbothioamide is Cc1ccc2[nH]ncc2c1-c1ccc2nc(NC(=S)C3CC3)sc2c1.
What is the InChIKey of N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarbothioamide?
The InChIKey is MTWSOBMUTUOAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S2/c1-10-2-6-14-13(9-20-23-14)17(10)12-5-7-15-16(8-12)25-19(21-15)22-18(24)11-3-4-11/h2,5-9,11H,3-4H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarbothioamide?
N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarbothioamide has a molecular weight of 364.50 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarbothioamide is sourced from PubChem (CID 164718182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).