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

C25H29ClN6O3S — CID 66786881

About N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(dimethylcarbamoyl)cyclopentyl]-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)-4-(dimethylcarbamoyl)cyclopentyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 66786881) has the molecular formula C25H29ClN6O3S and a molecular weight of 529.07 g/mol. Its IUPAC name is N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(dimethylcarbamoyl)cyclopentyl]-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)-4-(dimethylcarbamoyl)cyclopentyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• PubChem CID: 66786881
• Molecular Formula: C25H29ClN6O3S
• Molecular Weight: 529.07 g/mol
• Exact Mass: 528.17
• IUPAC Name: N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(dimethylcarbamoyl)cyclopentyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• SMILES: CN1CCc2nc(C(=O)NC3CC(C(=O)N(C)C)CC3(N)C(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
• InChI: InChI=1S/C25H29ClN6O3S/c1-31(2)24(35)14-10-20(30-22(34)23-29-17-6-7-32(3)12-19(17)36-23)25(27,11-14)21(33)18-9-13-8-15(26)4-5-16(13)28-18/h4-5,8-9,14,20,28H,6-7,10-12,27H2,1-3H3,(H,30,34)
• InChIKey: RTQNAMLQKMKUMZ-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 124.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.07
LogP ≤ 5	2.44
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)-4-(dimethylcarbamoyl)cyclopentyl]-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)-4-(dimethylcarbamoyl)cyclopentyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 66786881) is N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(dimethylcarbamoyl)cyclopentyl]-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)-4-(dimethylcarbamoyl)cyclopentyl]-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)-4-(dimethylcarbamoyl)cyclopentyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)NC3CC(C(=O)N(C)C)CC3(N)C(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.

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

The InChIKey is RTQNAMLQKMKUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O3S/c1-31(2)24(35)14-10-20(30-22(34)23-29-17-6-7-32(3)12-19(17)36-23)25(27,11-14)21(33)18-9-13-8-15(26)4-5-16(13)28-18/h4-5,8-9,14,20,28H,6-7,10-12,27H2,1-3H3,(H,30,34).

What are the key properties of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(dimethylcarbamoyl)cyclopentyl]-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)-4-(dimethylcarbamoyl)cyclopentyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 529.07 g/mol, XLogP of 2.44, 5 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)-4-(dimethylcarbamoyl)cyclopentyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 66786881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).