3-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one

C17H19ClN4OS — CID 120903158

IUPAC3-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one
SMILESNc1ncc(CN2CCC(C3C(=O)Nc4cc(Cl)ccc43)CC2)s1
InChIInChI=1S/C17H19ClN4OS/c18-11-1-2-13-14(7-11)21-16(23)15(13)10-3-5-22(6-4-10)9-12-8-20-17(19)24-12/h1-2,7-8,10,15H,3-6,9H2,(H2,19,20)(H,21,23)
InChIKeyPFGRPGGYYOJMES-UHFFFAOYSA-N
MW362.89 g/mol
LogP3.33
Rot. Bonds3

About 3-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one

3-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 120903158) has the molecular formula C17H19ClN4OS and a molecular weight of 362.89 g/mol. Its IUPAC name is 3-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID120903158
Molecular FormulaC17H19ClN4OS
Molecular Weight362.89 g/mol
Exact Mass362.10
IUPAC Name3-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one
SMILESNc1ncc(CN2CCC(C3C(=O)Nc4cc(Cl)ccc43)CC2)s1
InChIInChI=1S/C17H19ClN4OS/c18-11-1-2-13-14(7-11)21-16(23)15(13)10-3-5-22(6-4-10)9-12-8-20-17(19)24-12/h1-2,7-8,10,15H,3-6,9H2,(H2,19,20)(H,21,23)
InChIKeyPFGRPGGYYOJMES-UHFFFAOYSA-N
XLogP3.33
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.89
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one with MolForge

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Related Compounds

[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone
CID 120899134
5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122053569
[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(3-chlorophenyl)methanone
CID 120899361
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897945
5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902380
5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904110
5-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120899557
5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 25258494
5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 131944851
5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120903805
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902713

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 3-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one (CID 120903158) is 3-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one is Nc1ncc(CN2CCC(C3C(=O)Nc4cc(Cl)ccc43)CC2)s1.
What is the InChIKey of 3-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is PFGRPGGYYOJMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4OS/c18-11-1-2-13-14(7-11)21-16(23)15(13)10-3-5-22(6-4-10)9-12-8-20-17(19)24-12/h1-2,7-8,10,15H,3-6,9H2,(H2,19,20)(H,21,23).
What are the key properties of 3-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one?
3-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 362.89 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 120903158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).