2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

C14H19ClN4O3S2 — CID 119754236

IUPAC2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(NC(=O)c2csc(CN)n2)cc1.Cl
InChIInChI=1S/C14H18N4O3S2.ClH/c1-2-7-23(20,21)18-11-5-3-10(4-6-11)16-14(19)12-9-22-13(8-15)17-12;/h3-6,9,18H,2,7-8,15H2,1H3,(H,16,19);1H
InChIKeyKJPKAQNXLFFMPV-UHFFFAOYSA-N
MW390.92 g/mol
LogP2.43
Rot. Bonds7

About 2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119754236) has the molecular formula C14H19ClN4O3S2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119754236
Molecular FormulaC14H19ClN4O3S2
Molecular Weight390.92 g/mol
Exact Mass390.06
IUPAC Name2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(NC(=O)c2csc(CN)n2)cc1.Cl
InChIInChI=1S/C14H18N4O3S2.ClH/c1-2-7-23(20,21)18-11-5-3-10(4-6-11)16-14(19)12-9-22-13(8-15)17-12;/h3-6,9,18H,2,7-8,15H2,1H3,(H,16,19);1H
InChIKeyKJPKAQNXLFFMPV-UHFFFAOYSA-N
XLogP2.43
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119707103
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569
2-(aminomethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66377436
2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide
CID 103307161
2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119845933
2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 119739512
2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119679447
2-(aminomethyl)-N-(3-bromo-4-iodophenyl)-1,3-thiazole-4-carboxamide
CID 113266598
2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119844245
2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119688142
4-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylbenzoic acid
CID 66378065
2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119797494

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119754236) is 2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is CCCS(=O)(=O)Nc1ccc(NC(=O)c2csc(CN)n2)cc1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is KJPKAQNXLFFMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2.ClH/c1-2-7-23(20,21)18-11-5-3-10(4-6-11)16-14(19)12-9-22-13(8-15)17-12;/h3-6,9,18H,2,7-8,15H2,1H3,(H,16,19);1H.
What are the key properties of 2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 390.92 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119754236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).