(2S,5R)-5-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxolane-2-carboxamide

C15H17N3O2S — CID 120782636

IUPAC(2S,5R)-5-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2nc(-c3ccccc3)cs2)O1
InChIInChI=1S/C15H17N3O2S/c16-8-11-6-7-13(20-11)14(19)18-15-17-12(9-21-15)10-4-2-1-3-5-10/h1-5,9,11,13H,6-8,16H2,(H,17,18,19)/t11-,13+/m1/s1
InChIKeyKTWORFPTIXWYNK-YPMHNXCESA-N
MW303.39 g/mol
LogP2.25
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxolane-2-carboxamide (PubChem CID 120782636) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
PubChem CID120782636
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2nc(-c3ccccc3)cs2)O1
InChIInChI=1S/C15H17N3O2S/c16-8-11-6-7-13(20-11)14(19)18-15-17-12(9-21-15)10-4-2-1-3-5-10/h1-5,9,11,13H,6-8,16H2,(H,17,18,19)/t11-,13+/m1/s1
InChIKeyKTWORFPTIXWYNK-YPMHNXCESA-N
XLogP2.25
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120783279
(2S,5R)-5-(aminomethyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120783305
(2S,5R)-5-(aminomethyl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120783938
(2S,5R)-5-(aminomethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120783531
(2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120783542
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide
CID 120799808
(2R)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 2576249
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
CID 120801756
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
(2S,5R)-5-(aminomethyl)-N-thieno[3,2-d][1,3]thiazol-2-yloxolane-2-carboxamide;hydrochloride
CID 120794207

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxolane-2-carboxamide (CID 120782636) is (2S,5R)-5-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)Nc2nc(-c3ccccc3)cs2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxolane-2-carboxamide?
The InChIKey is KTWORFPTIXWYNK-YPMHNXCESA-N. The full InChI is InChI=1S/C15H17N3O2S/c16-8-11-6-7-13(20-11)14(19)18-15-17-12(9-21-15)10-4-2-1-3-5-10/h1-5,9,11,13H,6-8,16H2,(H,17,18,19)/t11-,13+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxolane-2-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.25, 4 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-(4-phenyl-1,3-thiazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 120782636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).