2-(2-methylidene-1,3-dihydroindol-5-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

C21H27N5S — CID 143978084

IUPAC2-(2-methylidene-1,3-dihydroindol-5-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESC=C1Cc2cc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)ccc2N1
InChIInChI=1S/C21H27N5S/c1-15-13-17-14-16(5-6-19(17)22-15)20-23-24-21(27-20)26-11-7-18(8-12-26)25-9-3-2-4-10-25/h5-6,14,18,22H,1-4,7-13H2
InChIKeyYZJWYCQDDFQDDP-UHFFFAOYSA-N
MW381.55 g/mol
LogP4.14
Rot. Bonds3

About 2-(2-methylidene-1,3-dihydroindol-5-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

2-(2-methylidene-1,3-dihydroindol-5-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 143978084) has the molecular formula C21H27N5S and a molecular weight of 381.55 g/mol. Its IUPAC name is 2-(2-methylidene-1,3-dihydroindol-5-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-methylidene-1,3-dihydroindol-5-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID143978084
Molecular FormulaC21H27N5S
Molecular Weight381.55 g/mol
Exact Mass381.20
IUPAC Name2-(2-methylidene-1,3-dihydroindol-5-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESC=C1Cc2cc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)ccc2N1
InChIInChI=1S/C21H27N5S/c1-15-13-17-14-16(5-6-19(17)22-15)20-23-24-21(27-20)26-11-7-18(8-12-26)25-9-3-2-4-10-25/h5-6,14,18,22H,1-4,7-13H2
InChIKeyYZJWYCQDDFQDDP-UHFFFAOYSA-N
XLogP4.14
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53319171
2-(3,4-dimethoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 58430464
3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol
CID 58430756
2-(4-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53317859
2-(2,5-dimethoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 45377912
5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one
CID 58430577
1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol
CID 62707527
2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 45377639
2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
CID 91001774
1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-3-pyrimidin-2-ylpiperidin-3-ol
CID 62705251
6-(4-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
CID 58579706
2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
CID 172900709

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylidene-1,3-dihydroindol-5-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-methylidene-1,3-dihydroindol-5-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (CID 143978084) is 2-(2-methylidene-1,3-dihydroindol-5-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-methylidene-1,3-dihydroindol-5-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-methylidene-1,3-dihydroindol-5-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is C=C1Cc2cc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)ccc2N1.
What is the InChIKey of 2-(2-methylidene-1,3-dihydroindol-5-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is YZJWYCQDDFQDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5S/c1-15-13-17-14-16(5-6-19(17)22-15)20-23-24-21(27-20)26-11-7-18(8-12-26)25-9-3-2-4-10-25/h5-6,14,18,22H,1-4,7-13H2.
What are the key properties of 2-(2-methylidene-1,3-dihydroindol-5-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
2-(2-methylidene-1,3-dihydroindol-5-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 381.55 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidene-1,3-dihydroindol-5-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 143978084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).