(2S,5R)-5-(aminomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride

C17H22ClN3O2S — CID 120783691

IUPAC(2S,5R)-5-(aminomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(NC(=O)[C@@H]3CC[C@H](CN)O3)sc2C)cc1.Cl
InChIInChI=1S/C17H21N3O2S.ClH/c1-10-3-5-12(6-4-10)15-11(2)23-17(19-15)20-16(21)14-8-7-13(9-18)22-14;/h3-6,13-14H,7-9,18H2,1-2H3,(H,19,20,21);1H/t13-,14+;/m1./s1
InChIKeyCSSRPGHJJPPITH-DFQHDRSWSA-N
MW367.90 g/mol
LogP3.29
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120783691) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
PubChem CID120783691
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(NC(=O)[C@@H]3CC[C@H](CN)O3)sc2C)cc1.Cl
InChIInChI=1S/C17H21N3O2S.ClH/c1-10-3-5-12(6-4-10)15-11(2)23-17(19-15)20-16(21)14-8-7-13(9-18)22-14;/h3-6,13-14H,7-9,18H2,1-2H3,(H,19,20,21);1H/t13-,14+;/m1./s1
InChIKeyCSSRPGHJJPPITH-DFQHDRSWSA-N
XLogP3.29
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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-(4,5-dimethyl-1,3-thiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120784117
(2S,5R)-5-(aminomethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120783279
(2S,5R)-5-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120783043
(2S,5R)-5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 120788522
(2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120792360
(2S,5R)-5-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 120783044
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
(2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120783473
(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-thieno[3,2-d][1,3]thiazol-2-yloxolane-2-carboxamide;hydrochloride
CID 120794207
(2S,5R)-5-(aminomethyl)-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120788775

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride (CID 120783691) is (2S,5R)-5-(aminomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride is Cc1ccc(-c2nc(NC(=O)[C@@H]3CC[C@H](CN)O3)sc2C)cc1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is CSSRPGHJJPPITH-DFQHDRSWSA-N. The full InChI is InChI=1S/C17H21N3O2S.ClH/c1-10-3-5-12(6-4-10)15-11(2)23-17(19-15)20-16(21)14-8-7-13(9-18)22-14;/h3-6,13-14H,7-9,18H2,1-2H3,(H,19,20,21);1H/t13-,14+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of 3.29, 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-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120783691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).