5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide

C16H21N3OS — CID 75617518

IUPAC5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide
SMILESO=C(NC1CCSc2ccccc21)C1CC(C2CC2)NN1
InChIInChI=1S/C16H21N3OS/c20-16(14-9-13(18-19-14)10-5-6-10)17-12-7-8-21-15-4-2-1-3-11(12)15/h1-4,10,12-14,18-19H,5-9H2,(H,17,20)
InChIKeyKGNLATNCYFWBRH-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.98
Rot. Bonds3

About 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide

5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide (PubChem CID 75617518) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide
PubChem CID75617518
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide
SMILESO=C(NC1CCSc2ccccc21)C1CC(C2CC2)NN1
InChIInChI=1S/C16H21N3OS/c20-16(14-9-13(18-19-14)10-5-6-10)17-12-7-8-21-15-4-2-1-3-11(12)15/h1-4,10,12-14,18-19H,5-9H2,(H,17,20)
InChIKeyKGNLATNCYFWBRH-UHFFFAOYSA-N
XLogP1.98
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide
CID 82906018
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
CID 64822346
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
CID 66032874
(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
CID 81123604
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 63041813
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide
CID 107067269
3-(3,4-dihydro-2H-thiochromen-4-ylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069744
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 107903329
N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119323965
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40987349

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide (CID 75617518) is 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide is O=C(NC1CCSc2ccccc21)C1CC(C2CC2)NN1.
What is the InChIKey of 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide?
The InChIKey is KGNLATNCYFWBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c20-16(14-9-13(18-19-14)10-5-6-10)17-12-7-8-21-15-4-2-1-3-11(12)15/h1-4,10,12-14,18-19H,5-9H2,(H,17,20).
What are the key properties of 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide?
5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75617518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).