2-(4-chloroanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide

C17H14ClN5OS — CID 24769476

IUPAC2-(4-chloroanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide
SMILESCC(Nc1ccc(Cl)cc1)C(=O)Nc1nc2ccc3[nH]ncc3c2s1
InChIInChI=1S/C17H14ClN5OS/c1-9(20-11-4-2-10(18)3-5-11)16(24)22-17-21-14-7-6-13-12(8-19-23-13)15(14)25-17/h2-9,20H,1H3,(H,19,23)(H,21,22,24)
InChIKeyXNLQUWXXCRJCDC-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.27
Rot. Bonds4

About 2-(4-chloroanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide

2-(4-chloroanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide (PubChem CID 24769476) has the molecular formula C17H14ClN5OS and a molecular weight of 371.85 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide
PubChem CID24769476
Molecular FormulaC17H14ClN5OS
Molecular Weight371.85 g/mol
Exact Mass371.06
IUPAC Name2-(4-chloroanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide
SMILESCC(Nc1ccc(Cl)cc1)C(=O)Nc1nc2ccc3[nH]ncc3c2s1
InChIInChI=1S/C17H14ClN5OS/c1-9(20-11-4-2-10(18)3-5-11)16(24)22-17-21-14-7-6-13-12(8-19-23-13)15(14)25-17/h2-9,20H,1H3,(H,19,23)(H,21,22,24)
InChIKeyXNLQUWXXCRJCDC-UHFFFAOYSA-N
XLogP4.27
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloroanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide with MolForge

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Related Compounds

2-[[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]amino]-4-methoxy-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)butanamide
CID 143601140
(2S)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019529
(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019533
2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 4968842
2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242458
ethyl (2Z)-2-(1-fluoroethenyl)-4-[[2-methyl-1-oxo-1-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-ylamino)propan-2-yl]amino]penta-2,4-dienoate
CID 143601198
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide
CID 25381234
(2R)-2-(4-chloroanilino)propanoate
CID 7152546
2-(4-chloroanilino)propanamide
CID 43085931
2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole
CID 162412475
ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 60542440
(2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 2215184

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide?
The IUPAC name of 2-(4-chloroanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide (CID 24769476) is 2-(4-chloroanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide is CC(Nc1ccc(Cl)cc1)C(=O)Nc1nc2ccc3[nH]ncc3c2s1.
What is the InChIKey of 2-(4-chloroanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide?
The InChIKey is XNLQUWXXCRJCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5OS/c1-9(20-11-4-2-10(18)3-5-11)16(24)22-17-21-14-7-6-13-12(8-19-23-13)15(14)25-17/h2-9,20H,1H3,(H,19,23)(H,21,22,24).
What are the key properties of 2-(4-chloroanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide?
2-(4-chloroanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide has a molecular weight of 371.85 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide is sourced from PubChem (CID 24769476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).