N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride

C17H20Cl2N4O2S — CID 16847905

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N(CCCN(C)C)c2nc3c(Cl)cccc3s2)no1.Cl
InChIInChI=1S/C17H19ClN4O2S.ClH/c1-11-10-13(20-24-11)16(23)22(9-5-8-21(2)3)17-19-15-12(18)6-4-7-14(15)25-17;/h4,6-7,10H,5,8-9H2,1-3H3;1H
InChIKeyZISUVUJVNIIUJX-UHFFFAOYSA-N
MW415.35 g/mol
LogP4.27
Rot. Bonds6

About N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride

N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 16847905) has the molecular formula C17H20Cl2N4O2S and a molecular weight of 415.35 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID16847905
Molecular FormulaC17H20Cl2N4O2S
Molecular Weight415.35 g/mol
Exact Mass414.07
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N(CCCN(C)C)c2nc3c(Cl)cccc3s2)no1.Cl
InChIInChI=1S/C17H19ClN4O2S.ClH/c1-11-10-13(20-24-11)16(23)22(9-5-8-21(2)3)17-19-15-12(18)6-4-7-14(15)25-17;/h4,6-7,10H,5,8-9H2,1-3H3;1H
InChIKeyZISUVUJVNIIUJX-UHFFFAOYSA-N
XLogP4.27
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride 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-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride
CID 16808818
N-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 43964616
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-1-carboxamide;hydrochloride
CID 44930542
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 44931607
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 44930490
5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide
CID 43964602
methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)-[3-(dimethylamino)propyl]carbamoyl]benzoate;hydrochloride
CID 16808825
2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-nitrobenzamide;hydrochloride
CID 44930562
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3,4-dimethoxybenzamide
CID 16808820
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-ethoxybenzamide
CID 7208911
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3,5-dinitrobenzamide
CID 41347706
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide
CID 7512489

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride (CID 16847905) is N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride is Cc1cc(C(=O)N(CCCN(C)C)c2nc3c(Cl)cccc3s2)no1.Cl.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is ZISUVUJVNIIUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2S.ClH/c1-11-10-13(20-24-11)16(23)22(9-5-8-21(2)3)17-19-15-12(18)6-4-7-14(15)25-17;/h4,6-7,10H,5,8-9H2,1-3H3;1H.
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 415.35 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 16847905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).