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

C15H25N3O2S — CID 120801030

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyloxolane-2-carboxamide
SMILESCCc1nc(C)c(C(C)N(C)C(=O)[C@@H]2CC[C@H](CN)O2)s1
InChIInChI=1S/C15H25N3O2S/c1-5-13-17-9(2)14(21-13)10(3)18(4)15(19)12-7-6-11(8-16)20-12/h10-12H,5-8,16H2,1-4H3/t10?,11-,12+/m1/s1
InChIKeyZUQZPKLMPWXDKM-SAIIYOCFSA-N
MW311.45 g/mol
LogP2.04
Rot. Bonds5

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

(2S,5R)-5-(aminomethyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyloxolane-2-carboxamide (PubChem CID 120801030) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyloxolane-2-carboxamide
PubChem CID120801030
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyloxolane-2-carboxamide
SMILESCCc1nc(C)c(C(C)N(C)C(=O)[C@@H]2CC[C@H](CN)O2)s1
InChIInChI=1S/C15H25N3O2S/c1-5-13-17-9(2)14(21-13)10(3)18(4)15(19)12-7-6-11(8-16)20-12/h10-12H,5-8,16H2,1-4H3/t10?,11-,12+/m1/s1
InChIKeyZUQZPKLMPWXDKM-SAIIYOCFSA-N
XLogP2.04
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide
CID 104551738
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
(2S,5R)-5-(aminomethyl)-N-(2,4-dimethyl-1,3-thiazol-5-yl)oxolane-2-carboxamide
CID 120795566
(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-ethyl-5-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 120788522
(2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide
CID 120800320
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119892918
(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide
CID 120787762
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976019
(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)oxolane-2-carboxamide
CID 120797670
2-amino-2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 116886647
2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylacetamide
CID 119881804

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyloxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyloxolane-2-carboxamide (CID 120801030) is (2S,5R)-5-(aminomethyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyloxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyloxolane-2-carboxamide is CCc1nc(C)c(C(C)N(C)C(=O)[C@@H]2CC[C@H](CN)O2)s1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyloxolane-2-carboxamide?
The InChIKey is ZUQZPKLMPWXDKM-SAIIYOCFSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-5-13-17-9(2)14(21-13)10(3)18(4)15(19)12-7-6-11(8-16)20-12/h10-12H,5-8,16H2,1-4H3/t10?,11-,12+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyloxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyloxolane-2-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 120801030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).