N-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide

C17H12N4OS — CID 69239970

IUPACN-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide
SMILESO=C(C=Cc1n[nH]c2ccccc12)Nc1ccc2ncsc2c1
InChIInChI=1S/C17H12N4OS/c22-17(19-11-5-6-15-16(9-11)23-10-18-15)8-7-14-12-3-1-2-4-13(12)20-21-14/h1-10H,(H,19,22)(H,20,21)
InChIKeyCCNBMODZORJIGI-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.82
Rot. Bonds3

About N-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide

N-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide (PubChem CID 69239970) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide
PubChem CID69239970
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC NameN-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide
SMILESO=C(C=Cc1n[nH]c2ccccc12)Nc1ccc2ncsc2c1
InChIInChI=1S/C17H12N4OS/c22-17(19-11-5-6-15-16(9-11)23-10-18-15)8-7-14-12-3-1-2-4-13(12)20-21-14/h1-10H,(H,19,22)(H,20,21)
InChIKeyCCNBMODZORJIGI-UHFFFAOYSA-N
XLogP3.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 45505442
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CID 121526812
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CID 134145902
CID 134145902
CID 177664675
CID 177664675
CID 60034892
CID 60034892
CID 72628219
CID 72628219
CID 2350656
CID 2350656
CID 55967429
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CID 55967556
CID 55967556

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide (CID 69239970) is N-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide is O=C(C=Cc1n[nH]c2ccccc12)Nc1ccc2ncsc2c1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide?
The InChIKey is CCNBMODZORJIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c22-17(19-11-5-6-15-16(9-11)23-10-18-15)8-7-14-12-3-1-2-4-13(12)20-21-14/h1-10H,(H,19,22)(H,20,21).
What are the key properties of N-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide?
N-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide has a molecular weight of 320.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide is sourced from PubChem (CID 69239970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).