N-[2-amino-2-[(5-chloro-1H-indol-2-yl)sulfonyl]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride

C18H21Cl2N5O3S2 — CID 66786422

IUPACN-[2-amino-2-[(5-chloro-1H-indol-2-yl)sulfonyl]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
SMILESCN1CCc2nc(C(=O)NCC(N)S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.Cl
InChIInChI=1S/C18H20ClN5O3S2.ClH/c1-24-5-4-13-14(9-24)28-18(23-13)17(25)21-8-15(20)29(26,27)16-7-10-6-11(19)2-3-12(10)22-16;/h2-3,6-7,15,22H,4-5,8-9,20H2,1H3,(H,21,25);1H
InChIKeyYSQMMPGAQDGRRY-UHFFFAOYSA-N
MW490.44 g/mol
LogP2.18
Rot. Bonds5

About N-[2-amino-2-[(5-chloro-1H-indol-2-yl)sulfonyl]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride

N-[2-amino-2-[(5-chloro-1H-indol-2-yl)sulfonyl]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (PubChem CID 66786422) has the molecular formula C18H21Cl2N5O3S2 and a molecular weight of 490.44 g/mol. Its IUPAC name is N-[2-amino-2-[(5-chloro-1H-indol-2-yl)sulfonyl]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-[(5-chloro-1H-indol-2-yl)sulfonyl]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
PubChem CID66786422
Molecular FormulaC18H21Cl2N5O3S2
Molecular Weight490.44 g/mol
Exact Mass489.05
IUPAC NameN-[2-amino-2-[(5-chloro-1H-indol-2-yl)sulfonyl]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
SMILESCN1CCc2nc(C(=O)NCC(N)S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.Cl
InChIInChI=1S/C18H20ClN5O3S2.ClH/c1-24-5-4-13-14(9-24)28-18(23-13)17(25)21-8-15(20)29(26,27)16-7-10-6-11(19)2-3-12(10)22-16;/h2-3,6-7,15,22H,4-5,8-9,20H2,1H3,(H,21,25);1H
InChIKeyYSQMMPGAQDGRRY-UHFFFAOYSA-N
XLogP2.18
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.44
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-amino-2-[(5-chloro-1H-indol-2-yl)sulfonyl]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-[(5-chloro-1H-indol-2-yl)sulfonyl]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-amino-2-[(5-chloro-1H-indol-2-yl)sulfonyl]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (CID 66786422) is N-[2-amino-2-[(5-chloro-1H-indol-2-yl)sulfonyl]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-[(5-chloro-1H-indol-2-yl)sulfonyl]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-[(5-chloro-1H-indol-2-yl)sulfonyl]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is CN1CCc2nc(C(=O)NCC(N)S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.Cl.
What is the InChIKey of N-[2-amino-2-[(5-chloro-1H-indol-2-yl)sulfonyl]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
The InChIKey is YSQMMPGAQDGRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O3S2.ClH/c1-24-5-4-13-14(9-24)28-18(23-13)17(25)21-8-15(20)29(26,27)16-7-10-6-11(19)2-3-12(10)22-16;/h2-3,6-7,15,22H,4-5,8-9,20H2,1H3,(H,21,25);1H.
What are the key properties of N-[2-amino-2-[(5-chloro-1H-indol-2-yl)sulfonyl]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
N-[2-amino-2-[(5-chloro-1H-indol-2-yl)sulfonyl]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride has a molecular weight of 490.44 g/mol, XLogP of 2.18, 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-indol-2-yl)sulfonyl]ethyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 66786422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).