N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride

C18H24ClN5OS — CID 16847625

IUPACN-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N(CCCN(C)C)c2nc3ccccc3s2)n(C)n1.Cl
InChIInChI=1S/C18H23N5OS.ClH/c1-13-12-15(22(4)20-13)17(24)23(11-7-10-21(2)3)18-19-14-8-5-6-9-16(14)25-18;/h5-6,8-9,12H,7,10-11H2,1-4H3;1H
InChIKeyJCSMJXPGLTXMMB-UHFFFAOYSA-N
MW393.94 g/mol
LogP3.36
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride

N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride (PubChem CID 16847625) has the molecular formula C18H24ClN5OS and a molecular weight of 393.94 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride
PubChem CID16847625
Molecular FormulaC18H24ClN5OS
Molecular Weight393.94 g/mol
Exact Mass393.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N(CCCN(C)C)c2nc3ccccc3s2)n(C)n1.Cl
InChIInChI=1S/C18H23N5OS.ClH/c1-13-12-15(22(4)20-13)17(24)23(11-7-10-21(2)3)18-19-14-8-5-6-9-16(14)25-18;/h5-6,8-9,12H,7,10-11H2,1-4H3;1H
InChIKeyJCSMJXPGLTXMMB-UHFFFAOYSA-N
XLogP3.36
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazole-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-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 44929489
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-2-carboxamide
CID 18563988
N-(1,3-benzothiazol-2-yl)-3-chloro-N-[3-(dimethylamino)propyl]benzamide
CID 7577445
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide;hydrochloride
CID 44929496
N-[3-(dimethylamino)propyl]-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44929609
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-methylsulfonylbenzamide
CID 7580125
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-2-carboxamide
CID 43964039
N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride
CID 44929614
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-oxochromene-3-carboxamide;hydrochloride
CID 44929512
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylbenzamide
CID 7577329
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3,4-dimethylbenzamide
CID 7577259
N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide;hydrochloride
CID 45284408

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride (CID 16847625) is N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride is Cc1cc(C(=O)N(CCCN(C)C)c2nc3ccccc3s2)n(C)n1.Cl.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is JCSMJXPGLTXMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS.ClH/c1-13-12-15(22(4)20-13)17(24)23(11-7-10-21(2)3)18-19-14-8-5-6-9-16(14)25-18;/h5-6,8-9,12H,7,10-11H2,1-4H3;1H.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride?
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 393.94 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 16847625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).