N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide

C19H15ClN6OS — CID 43967504

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide
SMILESO=C(c1nnc2n1CCC2)N(Cc1cccnc1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C19H15ClN6OS/c20-13-5-1-6-14-16(13)22-19(28-14)26(11-12-4-2-8-21-10-12)18(27)17-24-23-15-7-3-9-25(15)17/h1-2,4-6,8,10H,3,7,9,11H2
InChIKeyKOSMMFIFODHTFZ-UHFFFAOYSA-N
MW410.89 g/mol
LogP3.73
Rot. Bonds4

About N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide

N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide (PubChem CID 43967504) has the molecular formula C19H15ClN6OS and a molecular weight of 410.89 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide
PubChem CID43967504
Molecular FormulaC19H15ClN6OS
Molecular Weight410.89 g/mol
Exact Mass410.07
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide
SMILESO=C(c1nnc2n1CCC2)N(Cc1cccnc1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C19H15ClN6OS/c20-13-5-1-6-14-16(13)22-19(28-14)26(11-12-4-2-8-21-10-12)18(27)17-24-23-15-7-3-9-25(15)17/h1-2,4-6,8,10H,3,7,9,11H2
InChIKeyKOSMMFIFODHTFZ-UHFFFAOYSA-N
XLogP3.73
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-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

N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide
CID 43987301
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide
CID 43967883
N-(4-chloro-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-3-ylmethyl)imidazole-2-carboxamide
CID 43967505
2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40983555
2,4-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40983545
N-(4-chloro-1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 43968109
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 43967313
N-(4-chloro-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 43966142
N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 41364436
N-(4-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)-N-(pyridin-3-ylmethyl)benzamide
CID 43966145
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 40983592
N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 16827999

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide (CID 43967504) is N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide is O=C(c1nnc2n1CCC2)N(Cc1cccnc1)c1nc2c(Cl)cccc2s1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide?
The InChIKey is KOSMMFIFODHTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6OS/c20-13-5-1-6-14-16(13)22-19(28-14)26(11-12-4-2-8-21-10-12)18(27)17-24-23-15-7-3-9-25(15)17/h1-2,4-6,8,10H,3,7,9,11H2.
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide has a molecular weight of 410.89 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide is sourced from PubChem (CID 43967504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).