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

C19H20ClN5O2S — CID 54587183

IUPACN-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)NCCNC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
InChIInChI=1S/C19H20ClN5O2S/c1-25-7-4-14-16(10-25)28-19(24-14)18(27)22-6-5-21-17(26)15-9-11-8-12(20)2-3-13(11)23-15/h2-3,8-9,23H,4-7,10H2,1H3,(H,21,26)(H,22,27)
InChIKeyVULNWQDRFRZTIR-UHFFFAOYSA-N
MW417.92 g/mol
LogP2.43
Rot. Bonds5

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

N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 54587183) has the molecular formula C19H20ClN5O2S and a molecular weight of 417.92 g/mol. Its IUPAC name is N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID54587183
Molecular FormulaC19H20ClN5O2S
Molecular Weight417.92 g/mol
Exact Mass417.10
IUPAC NameN-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)NCCNC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
InChIInChI=1S/C19H20ClN5O2S/c1-25-7-4-14-16(10-25)28-19(24-14)18(27)22-6-5-21-17(26)15-9-11-8-12(20)2-3-13(11)23-15/h2-3,8-9,23H,4-7,10H2,1H3,(H,21,26)(H,22,27)
InChIKeyVULNWQDRFRZTIR-UHFFFAOYSA-N
XLogP2.43
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 54587183) is N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)NCCNC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.
What is the InChIKey of N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is VULNWQDRFRZTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2S/c1-25-7-4-14-16(10-25)28-19(24-14)18(27)22-6-5-21-17(26)15-9-11-8-12(20)2-3-13(11)23-15/h2-3,8-9,23H,4-7,10H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 417.92 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 54587183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).