5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide

C10H15N3O3S — CID 114181445

IUPAC5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)NCc2csc(=O)[nH]2)O1
InChIInChI=1S/C10H15N3O3S/c11-3-7-1-2-8(16-7)9(14)12-4-6-5-17-10(15)13-6/h5,7-8H,1-4,11H2,(H,12,14)(H,13,15)
InChIKeyMIMUESOAJOWYBO-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.44
Rot. Bonds4

About 5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide

5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide (PubChem CID 114181445) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide
PubChem CID114181445
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)NCc2csc(=O)[nH]2)O1
InChIInChI=1S/C10H15N3O3S/c11-3-7-1-2-8(16-7)9(14)12-4-6-5-17-10(15)13-6/h5,7-8H,1-4,11H2,(H,12,14)(H,13,15)
InChIKeyMIMUESOAJOWYBO-UHFFFAOYSA-N
XLogP-0.44
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride
CID 120801327
(2S,5R)-5-(aminomethyl)-N-[(2-bromophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120785931
(2S,5R)-5-(aminomethyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide
CID 120799808
(2S,5R)-5-(aminomethyl)-N-[(4-tert-butylphenyl)methyl]oxolane-2-carboxamide
CID 120785936
5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2-carboxamide
CID 106381374
(2S,5R)-5-(aminomethyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796035
2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 114181679
(2S,5R)-5-(aminomethyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 120799868
(2S,5R)-5-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120786721
5-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]oxolane-2-carboxamide
CID 114186150
(2S,5R)-5-(aminomethyl)-N-[(4-propan-2-ylphenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120786767
(2S,5R)-5-(aminomethyl)-N-(naphthalen-1-ylmethyl)oxolane-2-carboxamide;hydrochloride
CID 120786169

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide (CID 114181445) is 5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide is NCC1CCC(C(=O)NCc2csc(=O)[nH]2)O1.
What is the InChIKey of 5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide?
The InChIKey is MIMUESOAJOWYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c11-3-7-1-2-8(16-7)9(14)12-4-6-5-17-10(15)13-6/h5,7-8H,1-4,11H2,(H,12,14)(H,13,15).
What are the key properties of 5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide?
5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide has a molecular weight of 257.31 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 114181445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).