N-(5-chloro-2-hydroxyphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide

C19H23ClN4O3S — CID 84563682

IUPACN-(5-chloro-2-hydroxyphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCc1nc(NC(=O)CN2CCCC(C(=O)Nc3cc(Cl)ccc3O)C2)sc1C
InChIInChI=1S/C19H23ClN4O3S/c1-11-12(2)28-19(21-11)23-17(26)10-24-7-3-4-13(9-24)18(27)22-15-8-14(20)5-6-16(15)25/h5-6,8,13,25H,3-4,7,9-10H2,1-2H3,(H,22,27)(H,21,23,26)
InChIKeyCZMQPQUZMCFSNJ-UHFFFAOYSA-N
MW422.94 g/mol
LogP3.41
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide

N-(5-chloro-2-hydroxyphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 84563682) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID84563682
Molecular FormulaC19H23ClN4O3S
Molecular Weight422.94 g/mol
Exact Mass422.12
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCc1nc(NC(=O)CN2CCCC(C(=O)Nc3cc(Cl)ccc3O)C2)sc1C
InChIInChI=1S/C19H23ClN4O3S/c1-11-12(2)28-19(21-11)23-17(26)10-24-7-3-4-13(9-24)18(27)22-15-8-14(20)5-6-16(15)25/h5-6,8,13,25H,3-4,7,9-10H2,1-2H3,(H,22,27)(H,21,23,26)
InChIKeyCZMQPQUZMCFSNJ-UHFFFAOYSA-N
XLogP3.41
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide (CID 84563682) is N-(5-chloro-2-hydroxyphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide is Cc1nc(NC(=O)CN2CCCC(C(=O)Nc3cc(Cl)ccc3O)C2)sc1C.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is CZMQPQUZMCFSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S/c1-11-12(2)28-19(21-11)23-17(26)10-24-7-3-4-13(9-24)18(27)22-15-8-14(20)5-6-16(15)25/h5-6,8,13,25H,3-4,7,9-10H2,1-2H3,(H,22,27)(H,21,23,26).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 422.94 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 84563682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).