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

C16H20ClN3O2S — CID 120916927

IUPAC4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2nc(-c3ccccc3)cs2)CCOCC1
InChIInChI=1S/C16H19N3O2S.ClH/c17-11-16(6-8-21-9-7-16)14(20)19-15-18-13(10-22-15)12-4-2-1-3-5-12;/h1-5,10H,6-9,11,17H2,(H,18,19,20);1H
InChIKeySPLWOKWPRDLSPI-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.93
Rot. Bonds4

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

4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride (PubChem CID 120916927) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride
PubChem CID120916927
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2nc(-c3ccccc3)cs2)CCOCC1
InChIInChI=1S/C16H19N3O2S.ClH/c17-11-16(6-8-21-9-7-16)14(20)19-15-18-13(10-22-15)12-4-2-1-3-5-12;/h1-5,10H,6-9,11,17H2,(H,18,19,20);1H
InChIKeySPLWOKWPRDLSPI-UHFFFAOYSA-N
XLogP2.93
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride
CID 120917994
4-(aminomethyl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 120918759
4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 115439495
methyl 4-[2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate;hydrochloride
CID 120921065
4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120924757
4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide
CID 120941121
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
CID 120939549
(2S,5R)-5-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 120782636
4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
CID 120932270
4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119670233

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride (CID 120916927) is 4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)Nc2nc(-c3ccccc3)cs2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride?
The InChIKey is SPLWOKWPRDLSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S.ClH/c17-11-16(6-8-21-9-7-16)14(20)19-15-18-13(10-22-15)12-4-2-1-3-5-12;/h1-5,10H,6-9,11,17H2,(H,18,19,20);1H.
What are the key properties of 4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120916927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).