4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride

C17H22ClN3O2S — CID 120924757

IUPAC4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCc2csc(-c3ccccc3)n2)CCOCC1
InChIInChI=1S/C17H21N3O2S.ClH/c18-12-17(6-8-22-9-7-17)16(21)19-10-14-11-23-15(20-14)13-4-2-1-3-5-13;/h1-5,11H,6-10,12,18H2,(H,19,21);1H
InChIKeyLNTGDDWGDRRBJL-UHFFFAOYSA-N
MW367.90 g/mol
LogP2.60
Rot. Bonds5

About 4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120924757) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride
PubChem CID120924757
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCc2csc(-c3ccccc3)n2)CCOCC1
InChIInChI=1S/C17H21N3O2S.ClH/c18-12-17(6-8-22-9-7-17)16(21)19-10-14-11-23-15(20-14)13-4-2-1-3-5-13;/h1-5,11H,6-10,12,18H2,(H,19,21);1H
InChIKeyLNTGDDWGDRRBJL-UHFFFAOYSA-N
XLogP2.60
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride
CID 120916927
2-[[[4-(aminomethyl)oxane-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
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4-(methoxymethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
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4-(aminomethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
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4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]oxane-4-carboxamide
CID 107231196
4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
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4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120938594
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride (CID 120924757) is 4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)NCc2csc(-c3ccccc3)n2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is LNTGDDWGDRRBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S.ClH/c18-12-17(6-8-22-9-7-17)16(21)19-10-14-11-23-15(20-14)13-4-2-1-3-5-13;/h1-5,11H,6-10,12,18H2,(H,19,21);1H.
What are the key properties of 4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120924757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).