N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide

C15H21N3OS3 — CID 17448062

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide
SMILESCCc1nnc(NC(=O)C2CC3CCC(C2)C32SCCS2)s1
InChIInChI=1S/C15H21N3OS3/c1-2-12-17-18-14(22-12)16-13(19)9-7-10-3-4-11(8-9)15(10)20-5-6-21-15/h9-11H,2-8H2,1H3,(H,16,18,19)
InChIKeyQAXNRMNTWFSCBR-UHFFFAOYSA-N
MW355.55 g/mol
LogP3.65
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide (PubChem CID 17448062) has the molecular formula C15H21N3OS3 and a molecular weight of 355.55 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide
PubChem CID17448062
Molecular FormulaC15H21N3OS3
Molecular Weight355.55 g/mol
Exact Mass355.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide
SMILESCCc1nnc(NC(=O)C2CC3CCC(C2)C32SCCS2)s1
InChIInChI=1S/C15H21N3OS3/c1-2-12-17-18-14(22-12)16-13(19)9-7-10-3-4-11(8-9)15(10)20-5-6-21-15/h9-11H,2-8H2,1H3,(H,16,18,19)
InChIKeyQAXNRMNTWFSCBR-UHFFFAOYSA-N
XLogP3.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 841730
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 107641885
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 50875779
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176294
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107641478
trans-(1S,2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753029
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675982
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 154837433
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 19202988
1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 656355

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide (CID 17448062) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide is CCc1nnc(NC(=O)C2CC3CCC(C2)C32SCCS2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide?
The InChIKey is QAXNRMNTWFSCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS3/c1-2-12-17-18-14(22-12)16-13(19)9-7-10-3-4-11(8-9)15(10)20-5-6-21-15/h9-11H,2-8H2,1H3,(H,16,18,19).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide has a molecular weight of 355.55 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide is sourced from PubChem (CID 17448062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).