N-(2-ethyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide

C17H19N5OS — CID 166301966

IUPACN-(2-ethyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide
SMILESCCc1nc2ccc(NC(=O)c3cc(C4CCCN4)[nH]n3)cc2s1
InChIInChI=1S/C17H19N5OS/c1-2-16-20-12-6-5-10(8-15(12)24-16)19-17(23)14-9-13(21-22-14)11-4-3-7-18-11/h5-6,8-9,11,18H,2-4,7H2,1H3,(H,19,23)(H,21,22)
InChIKeyJRCNDODPFDZKQN-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.26
Rot. Bonds4

About N-(2-ethyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide

N-(2-ethyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 166301966) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(2-ethyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide
PubChem CID166301966
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-(2-ethyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide
SMILESCCc1nc2ccc(NC(=O)c3cc(C4CCCN4)[nH]n3)cc2s1
InChIInChI=1S/C17H19N5OS/c1-2-16-20-12-6-5-10(8-15(12)24-16)19-17(23)14-9-13(21-22-14)11-4-3-7-18-11/h5-6,8-9,11,18H,2-4,7H2,1H3,(H,19,23)(H,21,22)
InChIKeyJRCNDODPFDZKQN-UHFFFAOYSA-N
XLogP3.26
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-pyrrolidin-2-yl-1,3-benzothiazole
CID 84696097
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide
CID 167788200
N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 119277660
N-(2,3-dihydro-1H-inden-2-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide
CID 166301899
N-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide
CID 30152626
N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119306074
1-benzyl-N-(2-ethyl-1,3-benzothiazol-6-yl)-6-oxopiperidine-3-carboxamide
CID 166383917
2-pyrrolidin-2-yl-1,3-benzothiazole-6-carboxylic acid
CID 82383424
N-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide
CID 30153017
1-chloro-3-[(2-ethyl-1,3-benzothiazol-6-yl)amino]propan-2-ol
CID 168638641
N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702522
2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide
CID 30152451

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-ethyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide (CID 166301966) is N-(2-ethyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-ethyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide is CCc1nc2ccc(NC(=O)c3cc(C4CCCN4)[nH]n3)cc2s1.
What is the InChIKey of N-(2-ethyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is JRCNDODPFDZKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-2-16-20-12-6-5-10(8-15(12)24-16)19-17(23)14-9-13(21-22-14)11-4-3-7-18-11/h5-6,8-9,11,18H,2-4,7H2,1H3,(H,19,23)(H,21,22).
What are the key properties of N-(2-ethyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide?
N-(2-ethyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 166301966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).