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

C18H24ClN3O2S — CID 120783531

IUPAC(2S,5R)-5-(aminomethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
SMILESCc1cc(C)c(-c2csc(NC(=O)[C@@H]3CC[C@H](CN)O3)n2)cc1C.Cl
InChIInChI=1S/C18H23N3O2S.ClH/c1-10-6-12(3)14(7-11(10)2)15-9-24-18(20-15)21-17(22)16-5-4-13(8-19)23-16;/h6-7,9,13,16H,4-5,8,19H2,1-3H3,(H,20,21,22);1H/t13-,16+;/m1./s1
InChIKeyFFOSQVKIFJCACO-CACIRBSMSA-N
MW381.93 g/mol
LogP3.60
Rot. Bonds4

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

(2S,5R)-5-(aminomethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120783531) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
PubChem CID120783531
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
SMILESCc1cc(C)c(-c2csc(NC(=O)[C@@H]3CC[C@H](CN)O3)n2)cc1C.Cl
InChIInChI=1S/C18H23N3O2S.ClH/c1-10-6-12(3)14(7-11(10)2)15-9-24-18(20-15)21-17(22)16-5-4-13(8-19)23-16;/h6-7,9,13,16H,4-5,8,19H2,1-3H3,(H,20,21,22);1H/t13-,16+;/m1./s1
InChIKeyFFOSQVKIFJCACO-CACIRBSMSA-N
XLogP3.60
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120783279
(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-phenyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 120782636
(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-(4,5-dimethyl-1,3-thiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120784117
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 30136380
(2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120783473
(2S,5R)-5-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 120783044
(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-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120797004
(2S,5R)-5-(aminomethyl)-N-(2,4-dimethyl-1,3-thiazol-5-yl)oxolane-2-carboxamide
CID 120795566

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride (CID 120783531) is (2S,5R)-5-(aminomethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride is Cc1cc(C)c(-c2csc(NC(=O)[C@@H]3CC[C@H](CN)O3)n2)cc1C.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is FFOSQVKIFJCACO-CACIRBSMSA-N. The full InChI is InChI=1S/C18H23N3O2S.ClH/c1-10-6-12(3)14(7-11(10)2)15-9-24-18(20-15)21-17(22)16-5-4-13(8-19)23-16;/h6-7,9,13,16H,4-5,8,19H2,1-3H3,(H,20,21,22);1H/t13-,16+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 381.93 g/mol, XLogP of 3.60, 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-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120783531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).