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

C25H30ClN5O3S — CID 66786194

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

N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(methoxymethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 66786194) has the molecular formula C25H30ClN5O3S and a molecular weight of 516.07 g/mol. Its IUPAC name is N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(methoxymethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(methoxymethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• PubChem CID: 66786194
• Molecular Formula: C25H30ClN5O3S
• Molecular Weight: 516.07 g/mol
• Exact Mass: 515.18
• IUPAC Name: N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(methoxymethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• SMILES: COCC1CCC(N)(C(=O)c2cc3cc(Cl)ccc3[nH]2)C(NC(=O)c2nc3c(s2)CN(C)CC3)C1
• InChI: InChI=1S/C25H30ClN5O3S/c1-31-8-6-18-20(12-31)35-24(29-18)23(33)30-21-9-14(13-34-2)5-7-25(21,27)22(32)19-11-15-10-16(26)3-4-17(15)28-19/h3-4,10-11,14,21,28H,5-9,12-13,27H2,1-2H3,(H,30,33)
• InChIKey: CAJPLHJOXINMDY-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 113.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.07
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(methoxymethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The IUPAC name of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(methoxymethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 66786194) is N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(methoxymethyl)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-(5-chloro-1H-indole-2-carbonyl)-5-(methoxymethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(methoxymethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is COCC1CCC(N)(C(=O)c2cc3cc(Cl)ccc3[nH]2)C(NC(=O)c2nc3c(s2)CN(C)CC3)C1.

What is the InChIKey of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(methoxymethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The InChIKey is CAJPLHJOXINMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O3S/c1-31-8-6-18-20(12-31)35-24(29-18)23(33)30-21-9-14(13-34-2)5-7-25(21,27)22(32)19-11-15-10-16(26)3-4-17(15)28-19/h3-4,10-11,14,21,28H,5-9,12-13,27H2,1-2H3,(H,30,33).

What are the key properties of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(methoxymethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(methoxymethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 516.07 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(methoxymethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 66786194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).