4-(aminomethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxane-4-carboxamide

C13H21N3O2S — CID 120942222

IUPAC4-(aminomethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxane-4-carboxamide
SMILESCc1nc(CNC(=O)C2(CN)CCOCC2)sc1C
InChIInChI=1S/C13H21N3O2S/c1-9-10(2)19-11(16-9)7-15-12(17)13(8-14)3-5-18-6-4-13/h3-8,14H2,1-2H3,(H,15,17)
InChIKeyYSOFCWPNWDYZHL-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.13
Rot. Bonds4

About 4-(aminomethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxane-4-carboxamide

4-(aminomethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxane-4-carboxamide (PubChem CID 120942222) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxane-4-carboxamide
PubChem CID120942222
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-(aminomethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxane-4-carboxamide
SMILESCc1nc(CNC(=O)C2(CN)CCOCC2)sc1C
InChIInChI=1S/C13H21N3O2S/c1-9-10(2)19-11(16-9)7-15-12(17)13(8-14)3-5-18-6-4-13/h3-8,14H2,1-2H3,(H,15,17)
InChIKeyYSOFCWPNWDYZHL-UHFFFAOYSA-N
XLogP1.13
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxane-4-carboxamide
CID 120940969
4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120922244
2-[[[4-(aminomethyl)oxane-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 115439687
4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide
CID 106011910
4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120925200
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]oxane-4-carboxamide
CID 107231196
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
4-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]oxane-4-carboxamide
CID 115439740
4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxane-4-carboxamide
CID 115439503
4-(aminomethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
CID 120920453
4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
CID 120932270

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxane-4-carboxamide (CID 120942222) is 4-(aminomethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxane-4-carboxamide is Cc1nc(CNC(=O)C2(CN)CCOCC2)sc1C.
What is the InChIKey of 4-(aminomethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxane-4-carboxamide?
The InChIKey is YSOFCWPNWDYZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-10(2)19-11(16-9)7-15-12(17)13(8-14)3-5-18-6-4-13/h3-8,14H2,1-2H3,(H,15,17).
What are the key properties of 4-(aminomethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxane-4-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 120942222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).