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

C20H22ClN5O2S — CID 54587184

IUPACN-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-N,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N(C)CCNC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
InChIInChI=1S/C20H22ClN5O2S/c1-25-7-5-15-17(11-25)29-19(24-15)20(28)26(2)8-6-22-18(27)16-10-12-9-13(21)3-4-14(12)23-16/h3-4,9-10,23H,5-8,11H2,1-2H3,(H,22,27)
InChIKeyBJSJYLSPAYJWFH-UHFFFAOYSA-N
MW431.95 g/mol
LogP2.77
Rot. Bonds5

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

N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-N,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 54587184) has the molecular formula C20H22ClN5O2S and a molecular weight of 431.95 g/mol. Its IUPAC name is N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-N,5-dimethyl-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]-N,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID54587184
Molecular FormulaC20H22ClN5O2S
Molecular Weight431.95 g/mol
Exact Mass431.12
IUPAC NameN-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-N,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N(C)CCNC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
InChIInChI=1S/C20H22ClN5O2S/c1-25-7-5-15-17(11-25)29-19(24-15)20(28)26(2)8-6-22-18(27)16-10-12-9-13(21)3-4-14(12)23-16/h3-4,9-10,23H,5-8,11H2,1-2H3,(H,22,27)
InChIKeyBJSJYLSPAYJWFH-UHFFFAOYSA-N
XLogP2.77
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-N,5-dimethyl-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]-N,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 54587184) is N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-N,5-dimethyl-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]-N,5-dimethyl-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]-N,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)N(C)CCNC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.
What is the InChIKey of N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-N,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is BJSJYLSPAYJWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2S/c1-25-7-5-15-17(11-25)29-19(24-15)20(28)26(2)8-6-22-18(27)16-10-12-9-13(21)3-4-14(12)23-16/h3-4,9-10,23H,5-8,11H2,1-2H3,(H,22,27).
What are the key properties of N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-N,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-N,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 431.95 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 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]-N,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 54587184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).