N-(5-acetyl-1,3-thiazol-2-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride

C12H18ClN3O3S — CID 120933971

IUPACN-(5-acetyl-1,3-thiazol-2-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
SMILESCC(=O)c1cnc(NC(=O)C2(CN)CCOCC2)s1.Cl
InChIInChI=1S/C12H17N3O3S.ClH/c1-8(16)9-6-14-11(19-9)15-10(17)12(7-13)2-4-18-5-3-12;/h6H,2-5,7,13H2,1H3,(H,14,15,17);1H
InChIKeySYJSJKQXECILRM-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.46
Rot. Bonds4

About N-(5-acetyl-1,3-thiazol-2-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride

N-(5-acetyl-1,3-thiazol-2-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride (PubChem CID 120933971) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is N-(5-acetyl-1,3-thiazol-2-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-acetyl-1,3-thiazol-2-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
PubChem CID120933971
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC NameN-(5-acetyl-1,3-thiazol-2-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
SMILESCC(=O)c1cnc(NC(=O)C2(CN)CCOCC2)s1.Cl
InChIInChI=1S/C12H17N3O3S.ClH/c1-8(16)9-6-14-11(19-9)15-10(17)12(7-13)2-4-18-5-3-12;/h6H,2-5,7,13H2,1H3,(H,14,15,17);1H
InChIKeySYJSJKQXECILRM-UHFFFAOYSA-N
XLogP1.46
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119329729
methyl 3-[[2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-1,3-thiazol-5-yl]methyl]benzoate;hydrochloride
CID 120930120
4-(aminomethyl)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide;hydrochloride
CID 120932965
4-(aminomethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;hydrochloride
CID 120918147
4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride
CID 120917994
4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride
CID 120916927
5-[[4-(aminomethyl)oxane-4-carbonyl]amino]pyridine-2-carboxylic acid
CID 115439810
4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxane-4-carboxamide
CID 115439503
4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
CID 120939549
N-(5-acetyl-1,3-thiazol-2-yl)acetamide;hydrobromide
CID 141437106
4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride
CID 120926106
4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 115439495

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-1,3-thiazol-2-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of N-(5-acetyl-1,3-thiazol-2-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride (CID 120933971) is N-(5-acetyl-1,3-thiazol-2-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-acetyl-1,3-thiazol-2-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for N-(5-acetyl-1,3-thiazol-2-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride is CC(=O)c1cnc(NC(=O)C2(CN)CCOCC2)s1.Cl.
What is the InChIKey of N-(5-acetyl-1,3-thiazol-2-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride?
The InChIKey is SYJSJKQXECILRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S.ClH/c1-8(16)9-6-14-11(19-9)15-10(17)12(7-13)2-4-18-5-3-12;/h6H,2-5,7,13H2,1H3,(H,14,15,17);1H.
What are the key properties of N-(5-acetyl-1,3-thiazol-2-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride?
N-(5-acetyl-1,3-thiazol-2-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride has a molecular weight of 319.81 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-1,3-thiazol-2-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120933971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).