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

C16H21N3O2S2 — CID 120784952

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]oxolane-2-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)[C@@H]3CC[C@H](CN)O3)s2)cs1
InChIInChI=1S/C16H21N3O2S2/c1-10-19-13(9-22-10)15-5-3-12(23-15)6-7-18-16(20)14-4-2-11(8-17)21-14/h3,5,9,11,14H,2,4,6-8,17H2,1H3,(H,18,20)/t11-,14+/m1/s1
InChIKeyGOLLTPKYQBJYJS-RISCZKNCSA-N
MW351.50 g/mol
LogP2.35
Rot. Bonds6

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

(2S,5R)-5-(aminomethyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]oxolane-2-carboxamide (PubChem CID 120784952) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]oxolane-2-carboxamide
PubChem CID120784952
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]oxolane-2-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)[C@@H]3CC[C@H](CN)O3)s2)cs1
InChIInChI=1S/C16H21N3O2S2/c1-10-19-13(9-22-10)15-5-3-12(23-15)6-7-18-16(20)14-4-2-11(8-17)21-14/h3,5,9,11,14H,2,4,6-8,17H2,1H3,(H,18,20)/t11-,14+/m1/s1
InChIKeyGOLLTPKYQBJYJS-RISCZKNCSA-N
XLogP2.35
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119275088
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide
CID 119696591
1-acetyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperidine-4-carboxamide
CID 18120375
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119696616
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 119275087
(2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide
CID 120800320
2-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 47014812
2-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 119696595
(2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide
CID 119696599
3,5-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 27294304
2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride
CID 119696612
2-amino-2-(4-methylphenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 120666877

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]oxolane-2-carboxamide (CID 120784952) is (2S,5R)-5-(aminomethyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]oxolane-2-carboxamide is Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CC[C@H](CN)O3)s2)cs1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is GOLLTPKYQBJYJS-RISCZKNCSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-10-19-13(9-22-10)15-5-3-12(23-15)6-7-18-16(20)14-4-2-11(8-17)21-14/h3,5,9,11,14H,2,4,6-8,17H2,1H3,(H,18,20)/t11-,14+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 351.50 g/mol, XLogP of 2.35, 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-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120784952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).