N-[2-amino-2-(6-chloro-4-hydroxynaphthalene-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C25H27ClN4O3S — CID 66787152

IUPACN-[2-amino-2-(6-chloro-4-hydroxynaphthalene-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)NC3CCCCC3(N)C(=O)c3cc(O)c4cc(Cl)ccc4c3)sc2C1
InChIInChI=1S/C25H27ClN4O3S/c1-30-9-7-18-20(13-30)34-24(28-18)23(33)29-21-4-2-3-8-25(21,27)22(32)15-10-14-5-6-16(26)12-17(14)19(31)11-15/h5-6,10-12,21,31H,2-4,7-9,13,27H2,1H3,(H,29,33)
InChIKeyAUSPJLWSRQDRJI-UHFFFAOYSA-N
MW499.04 g/mol
LogP3.90
Rot. Bonds4

About N-[2-amino-2-(6-chloro-4-hydroxynaphthalene-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[2-amino-2-(6-chloro-4-hydroxynaphthalene-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 66787152) has the molecular formula C25H27ClN4O3S and a molecular weight of 499.04 g/mol. Its IUPAC name is N-[2-amino-2-(6-chloro-4-hydroxynaphthalene-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(6-chloro-4-hydroxynaphthalene-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID66787152
Molecular FormulaC25H27ClN4O3S
Molecular Weight499.04 g/mol
Exact Mass498.15
IUPAC NameN-[2-amino-2-(6-chloro-4-hydroxynaphthalene-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)NC3CCCCC3(N)C(=O)c3cc(O)c4cc(Cl)ccc4c3)sc2C1
InChIInChI=1S/C25H27ClN4O3S/c1-30-9-7-18-20(13-30)34-24(28-18)23(33)29-21-4-2-3-8-25(21,27)22(32)15-10-14-5-6-16(26)12-17(14)19(31)11-15/h5-6,10-12,21,31H,2-4,7-9,13,27H2,1H3,(H,29,33)
InChIKeyAUSPJLWSRQDRJI-UHFFFAOYSA-N
XLogP3.90
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.04
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-amino-2-(6-chloro-4-hydroxynaphthalene-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(6-chloro-4-hydroxynaphthalene-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-amino-2-(6-chloro-4-hydroxynaphthalene-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 66787152) is N-[2-amino-2-(6-chloro-4-hydroxynaphthalene-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-amino-2-(6-chloro-4-hydroxynaphthalene-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-amino-2-(6-chloro-4-hydroxynaphthalene-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)NC3CCCCC3(N)C(=O)c3cc(O)c4cc(Cl)ccc4c3)sc2C1.
What is the InChIKey of N-[2-amino-2-(6-chloro-4-hydroxynaphthalene-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is AUSPJLWSRQDRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O3S/c1-30-9-7-18-20(13-30)34-24(28-18)23(33)29-21-4-2-3-8-25(21,27)22(32)15-10-14-5-6-16(26)12-17(14)19(31)11-15/h5-6,10-12,21,31H,2-4,7-9,13,27H2,1H3,(H,29,33).
What are the key properties of N-[2-amino-2-(6-chloro-4-hydroxynaphthalene-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[2-amino-2-(6-chloro-4-hydroxynaphthalene-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 499.04 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(6-chloro-4-hydroxynaphthalene-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 66787152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).