1-[[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

C24H26ClN5OS2 — CID 20801097

IUPAC1-[[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2nnc(-c3ccc(Cl)s3)s2)CC1
InChIInChI=1S/C24H26ClN5OS2/c1-15(2)29-11-9-17(10-12-29)26-23(31)19-13-16-5-3-4-6-18(16)30(19)14-22-27-28-24(33-22)20-7-8-21(25)32-20/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,26,31)
InChIKeyGREPHJSRGKVNIG-UHFFFAOYSA-N
MW500.09 g/mol
LogP5.53
Rot. Bonds6

About 1-[[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

1-[[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 20801097) has the molecular formula C24H26ClN5OS2 and a molecular weight of 500.09 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID20801097
Molecular FormulaC24H26ClN5OS2
Molecular Weight500.09 g/mol
Exact Mass499.13
IUPAC Name1-[[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2nnc(-c3ccc(Cl)s3)s2)CC1
InChIInChI=1S/C24H26ClN5OS2/c1-15(2)29-11-9-17(10-12-29)26-23(31)19-13-16-5-3-4-6-18(16)30(19)14-22-27-28-24(33-22)20-7-8-21(25)32-20/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,26,31)
InChIKeyGREPHJSRGKVNIG-UHFFFAOYSA-N
XLogP5.53
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.09
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (CID 20801097) is 1-[[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2nnc(-c3ccc(Cl)s3)s2)CC1.
What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is GREPHJSRGKVNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5OS2/c1-15(2)29-11-9-17(10-12-29)26-23(31)19-13-16-5-3-4-6-18(16)30(19)14-22-27-28-24(33-22)20-7-8-21(25)32-20/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,26,31).
What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
1-[[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 500.09 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 20801097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).