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

C18H23N3O3S — CID 120792360

IUPAC(2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESCCc1sc(NC(=O)[C@@H]2CC[C@H](CN)O2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C18H23N3O3S/c1-3-15-16(11-4-6-12(23-2)7-5-11)20-18(25-15)21-17(22)14-9-8-13(10-19)24-14/h4-7,13-14H,3,8-10,19H2,1-2H3,(H,20,21,22)/t13-,14+/m1/s1
InChIKeyCSZQHCHPHUMVLY-KGLIPLIRSA-N
MW361.47 g/mol
LogP2.83
Rot. Bonds6

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

(2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide (PubChem CID 120792360) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
PubChem CID120792360
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESCCc1sc(NC(=O)[C@@H]2CC[C@H](CN)O2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C18H23N3O3S/c1-3-15-16(11-4-6-12(23-2)7-5-11)20-18(25-15)21-17(22)14-9-8-13(10-19)24-14/h4-7,13-14H,3,8-10,19H2,1-2H3,(H,20,21,22)/t13-,14+/m1/s1
InChIKeyCSZQHCHPHUMVLY-KGLIPLIRSA-N
XLogP2.83
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120783691
(2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 120782820
(2S,5R)-5-(aminomethyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796035
(2R,3S)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931365
(2S,5R)-5-(aminomethyl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120792190
(2S,5R)-5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 120788522
(2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120783542
(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-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120788684
5-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 81363772
(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120784333
(2S,5R)-5-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 120783044

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide (CID 120792360) is (2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide is CCc1sc(NC(=O)[C@@H]2CC[C@H](CN)O2)nc1-c1ccc(OC)cc1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is CSZQHCHPHUMVLY-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-3-15-16(11-4-6-12(23-2)7-5-11)20-18(25-15)21-17(22)14-9-8-13(10-19)24-14/h4-7,13-14H,3,8-10,19H2,1-2H3,(H,20,21,22)/t13-,14+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 120792360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).