5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide

C18H17FN4OS — CID 75118963

IUPAC5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide
SMILESCc1nc2ccc(NC(=O)C3CC(c4ccc(F)cc4)NN3)cc2s1
InChIInChI=1S/C18H17FN4OS/c1-10-20-14-7-6-13(8-17(14)25-10)21-18(24)16-9-15(22-23-16)11-2-4-12(19)5-3-11/h2-8,15-16,22-23H,9H2,1H3,(H,21,24)
InChIKeySYTNGCJQQCSWQU-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.29
Rot. Bonds3

About 5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide

5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide (PubChem CID 75118963) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide
PubChem CID75118963
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide
SMILESCc1nc2ccc(NC(=O)C3CC(c4ccc(F)cc4)NN3)cc2s1
InChIInChI=1S/C18H17FN4OS/c1-10-20-14-7-6-13(8-17(14)25-10)21-18(24)16-9-15(22-23-16)11-2-4-12(19)5-3-11/h2-8,15-16,22-23H,9H2,1H3,(H,21,24)
InChIKeySYTNGCJQQCSWQU-UHFFFAOYSA-N
XLogP3.29
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 7742031
N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 43702559
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 114996370
N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702522
4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674363
3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 66009345
N-(3,5-dimethylphenyl)-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605659
1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 26115537
2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide
CID 167830807
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 110890730
N-(3-fluorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74713535
(2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 7742007

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide (CID 75118963) is 5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide is Cc1nc2ccc(NC(=O)C3CC(c4ccc(F)cc4)NN3)cc2s1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide?
The InChIKey is SYTNGCJQQCSWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-10-20-14-7-6-13(8-17(14)25-10)21-18(24)16-9-15(22-23-16)11-2-4-12(19)5-3-11/h2-8,15-16,22-23H,9H2,1H3,(H,21,24).
What are the key properties of 5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide?
5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75118963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).