2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide

C19H22N4O2S — CID 50943241

IUPAC2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
SMILESCc1ncsc1CN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1
InChIInChI=1S/C19H22N4O2S/c1-12-16(26-11-21-12)10-22-7-5-14(6-8-22)23-9-13-3-2-4-15(18(20)24)17(13)19(23)25/h2-4,11,14H,5-10H2,1H3,(H2,20,24)
InChIKeyWJWLTLAIHKFPCH-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.17
Rot. Bonds4

About 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide

2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 50943241) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
PubChem CID50943241
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
SMILESCc1ncsc1CN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1
InChIInChI=1S/C19H22N4O2S/c1-12-16(26-11-21-12)10-22-7-5-14(6-8-22)23-9-13-3-2-4-15(18(20)24)17(13)19(23)25/h2-4,11,14H,5-10H2,1H3,(H2,20,24)
InChIKeyWJWLTLAIHKFPCH-UHFFFAOYSA-N
XLogP2.17
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide (CID 50943241) is 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide is Cc1ncsc1CN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1.
What is the InChIKey of 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is WJWLTLAIHKFPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12-16(26-11-21-12)10-22-7-5-14(6-8-22)23-9-13-3-2-4-15(18(20)24)17(13)19(23)25/h2-4,11,14H,5-10H2,1H3,(H2,20,24).
What are the key properties of 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 50943241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).