(2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide

C13H21N3O2S — CID 120800320

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide
SMILESCc1nc(C)c(CCNC(=O)[C@@H]2CC[C@H](CN)O2)s1
InChIInChI=1S/C13H21N3O2S/c1-8-12(19-9(2)16-8)5-6-15-13(17)11-4-3-10(7-14)18-11/h10-11H,3-7,14H2,1-2H3,(H,15,17)/t10-,11+/m1/s1
InChIKeyGYAZGHARMYQXIV-MNOVXSKESA-N
MW283.40 g/mol
LogP0.92
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide (PubChem CID 120800320) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide
PubChem CID120800320
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide
SMILESCc1nc(C)c(CCNC(=O)[C@@H]2CC[C@H](CN)O2)s1
InChIInChI=1S/C13H21N3O2S/c1-8-12(19-9(2)16-8)5-6-15-13(17)11-4-3-10(7-14)18-11/h10-11H,3-7,14H2,1-2H3,(H,15,17)/t10-,11+/m1/s1
InChIKeyGYAZGHARMYQXIV-MNOVXSKESA-N
XLogP0.92
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2,4-dimethyl-1,3-thiazol-5-yl)oxolane-2-carboxamide
CID 120795566
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopentanecarboxamide
CID 110395068
(2S,5R)-5-(aminomethyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]oxolane-2-carboxamide
CID 120784952
(2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 120794626
(2S,5R)-5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120784117
(2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120783473
cis-(1S,3R)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065542
(2S,5R)-5-(aminomethyl)-N-(3,3-dimethylbutyl)oxolane-2-carboxamide
CID 120785708
(2S,5R)-5-(aminomethyl)-N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide
CID 120783060
cis-(1R,2S)-2-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide
CID 126807323
(2S,5R)-5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 120788522
(2S,5R)-5-(aminomethyl)-N-[2-(3,5-difluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120790695

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide (CID 120800320) is (2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide is Cc1nc(C)c(CCNC(=O)[C@@H]2CC[C@H](CN)O2)s1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is GYAZGHARMYQXIV-MNOVXSKESA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-8-12(19-9(2)16-8)5-6-15-13(17)11-4-3-10(7-14)18-11/h10-11H,3-7,14H2,1-2H3,(H,15,17)/t10-,11+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120800320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).