5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one

C19H18ClN5OS — CID 67089543

IUPAC5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one
SMILESNC(CNc1nnc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN5OS/c20-14-4-1-11(2-5-14)7-15(21)10-22-19-25-24-18(27-19)12-3-6-16-13(8-12)9-17(26)23-16/h1-6,8,15H,7,9-10,21H2,(H,22,25)(H,23,26)
InChIKeyQTABRLAQTDRTKE-UHFFFAOYSA-N
MW399.91 g/mol
LogP3.34
Rot. Bonds6

About 5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one

5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one (PubChem CID 67089543) has the molecular formula C19H18ClN5OS and a molecular weight of 399.91 g/mol. Its IUPAC name is 5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one
PubChem CID67089543
Molecular FormulaC19H18ClN5OS
Molecular Weight399.91 g/mol
Exact Mass399.09
IUPAC Name5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one
SMILESNC(CNc1nnc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN5OS/c20-14-4-1-11(2-5-14)7-15(21)10-22-19-25-24-18(27-19)12-3-6-16-13(8-12)9-17(26)23-16/h1-6,8,15H,7,9-10,21H2,(H,22,25)(H,23,26)
InChIKeyQTABRLAQTDRTKE-UHFFFAOYSA-N
XLogP3.34
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.91
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one (CID 67089543) is 5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one is NC(CNc1nnc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(Cl)cc1.
What is the InChIKey of 5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one?
The InChIKey is QTABRLAQTDRTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5OS/c20-14-4-1-11(2-5-14)7-15(21)10-22-19-25-24-18(27-19)12-3-6-16-13(8-12)9-17(26)23-16/h1-6,8,15H,7,9-10,21H2,(H,22,25)(H,23,26).
What are the key properties of 5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one?
5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one has a molecular weight of 399.91 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 67089543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).