2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride

C16H21ClN4O4S2 — CID 119690150

IUPAC2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C16H20N4O4S2.ClH/c17-9-15-19-14(11-25-15)16(21)18-10-12-1-3-13(4-2-12)26(22,23)20-5-7-24-8-6-20;/h1-4,11H,5-10,17H2,(H,18,21);1H
InChIKeyFKKOTEXAAICTBH-UHFFFAOYSA-N
MW432.96 g/mol
LogP0.97
Rot. Bonds6

About 2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119690150) has the molecular formula C16H21ClN4O4S2 and a molecular weight of 432.96 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119690150
Molecular FormulaC16H21ClN4O4S2
Molecular Weight432.96 g/mol
Exact Mass432.07
IUPAC Name2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C16H20N4O4S2.ClH/c17-9-15-19-14(11-25-15)16(21)18-10-12-1-3-13(4-2-12)26(22,23)20-5-7-24-8-6-20;/h1-4,11H,5-10,17H2,(H,18,21);1H
InChIKeyFKKOTEXAAICTBH-UHFFFAOYSA-N
XLogP0.97
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.96
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119835012
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide
CID 27861900
(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271587
2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 26662569
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
(2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
CID 119690168
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30823832
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9406618
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55909489

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119690150) is 2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCc1nc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is FKKOTEXAAICTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S2.ClH/c17-9-15-19-14(11-25-15)16(21)18-10-12-1-3-13(4-2-12)26(22,23)20-5-7-24-8-6-20;/h1-4,11H,5-10,17H2,(H,18,21);1H.
What are the key properties of 2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 432.96 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119690150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).