(3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C19H18Cl2N4OS — CID 97018001

IUPAC(3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESNc1c(Cl)cc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1Cl
InChIInChI=1S/C19H18Cl2N4OS/c20-13-8-12(9-14(21)17(13)22)23-18(26)11-4-3-7-25(10-11)19-24-15-5-1-2-6-16(15)27-19/h1-2,5-6,8-9,11H,3-4,7,10,22H2,(H,23,26)/t11-/m1/s1
InChIKeyCXPQRPCSJBCJME-LLVKDONJSA-N
MW421.35 g/mol
LogP5.04
Rot. Bonds3

About (3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide

(3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 97018001) has the molecular formula C19H18Cl2N4OS and a molecular weight of 421.35 g/mol. Its IUPAC name is (3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID97018001
Molecular FormulaC19H18Cl2N4OS
Molecular Weight421.35 g/mol
Exact Mass420.06
IUPAC Name(3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESNc1c(Cl)cc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1Cl
InChIInChI=1S/C19H18Cl2N4OS/c20-13-8-12(9-14(21)17(13)22)23-18(26)11-4-3-7-25(10-11)19-24-15-5-1-2-6-16(15)27-19/h1-2,5-6,8-9,11H,3-4,7,10,22H2,(H,23,26)/t11-/m1/s1
InChIKeyCXPQRPCSJBCJME-LLVKDONJSA-N
XLogP5.04
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.35
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-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

(3S)-1-(1,3-benzothiazol-2-yl)-N-[3-(cyclopropanecarbonylamino)phenyl]piperidine-3-carboxamide
CID 51950778
1-(1,3-benzothiazol-2-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide
CID 90609916
methyl 4-[[1-(1,3-benzothiazol-2-yl)piperidine-3-carbonyl]amino]benzoate
CID 90610013
1-(1,3-benzothiazol-2-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 90610037
1-(1,3-benzothiazol-2-yl)-N-[4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 42961937
1-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 90610044
(3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 94461774
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 90610057
1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 90609970
1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 90609956
N-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 20883798

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 97018001) is (3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide is Nc1c(Cl)cc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1Cl.
What is the InChIKey of (3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is CXPQRPCSJBCJME-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18Cl2N4OS/c20-13-8-12(9-14(21)17(13)22)23-18(26)11-4-3-7-25(10-11)19-24-15-5-1-2-6-16(15)27-19/h1-2,5-6,8-9,11H,3-4,7,10,22H2,(H,23,26)/t11-/m1/s1.
What are the key properties of (3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
(3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 421.35 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97018001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).