4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride

C16H21Cl3N4O3S — CID 119830565

IUPAC4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1nc(CN2CCOCC2)cs1.Cl.Cl
InChIInChI=1S/C16H19ClN4O3S.2ClH/c1-23-14-7-13(18)12(17)6-11(14)15(22)20-16-19-10(9-25-16)8-21-2-4-24-5-3-21;;/h6-7,9H,2-5,8,18H2,1H3,(H,19,20,22);2*1H
InChIKeyBXGYDMKTKHRAAG-UHFFFAOYSA-N
MW455.80 g/mol
LogP3.32
Rot. Bonds5

About 4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride

4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride (PubChem CID 119830565) has the molecular formula C16H21Cl3N4O3S and a molecular weight of 455.80 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride
PubChem CID119830565
Molecular FormulaC16H21Cl3N4O3S
Molecular Weight455.80 g/mol
Exact Mass454.04
IUPAC Name4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1nc(CN2CCOCC2)cs1.Cl.Cl
InChIInChI=1S/C16H19ClN4O3S.2ClH/c1-23-14-7-13(18)12(17)6-11(14)15(22)20-16-19-10(9-25-16)8-21-2-4-24-5-3-21;;/h6-7,9H,2-5,8,18H2,1H3,(H,19,20,22);2*1H
InChIKeyBXGYDMKTKHRAAG-UHFFFAOYSA-N
XLogP3.32
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.80
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547700
ethyl 2-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119672760
2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 29324595
4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride
CID 119834795
2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 78776017
3-(2,5-dimethylpyrrol-1-yl)-4-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 167947490
2-ethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547705
2-hydroxy-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 46525048
4-amino-5-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide;dihydrochloride
CID 119828566
(4-amino-5-chloro-2-methoxyphenyl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 119864369
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119830551
2-amino-2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830508

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride (CID 119830565) is 4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride is COc1cc(N)c(Cl)cc1C(=O)Nc1nc(CN2CCOCC2)cs1.Cl.Cl.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride?
The InChIKey is BXGYDMKTKHRAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S.2ClH/c1-23-14-7-13(18)12(17)6-11(14)15(22)20-16-19-10(9-25-16)8-21-2-4-24-5-3-21;;/h6-7,9H,2-5,8,18H2,1H3,(H,19,20,22);2*1H.
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride?
4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride has a molecular weight of 455.80 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride is sourced from PubChem (CID 119830565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).