2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide

C18H21N5O2S — CID 120630795

IUPAC2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCCc1noc(-c2ccc(CCNC(=O)c3csc(CCN)n3)cc2)n1
InChIInChI=1S/C18H21N5O2S/c1-2-15-22-18(25-23-15)13-5-3-12(4-6-13)8-10-20-17(24)14-11-26-16(21-14)7-9-19/h3-6,11H,2,7-10,19H2,1H3,(H,20,24)
InChIKeyXNBUSGARKAOZLK-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.23
Rot. Bonds8

About 2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 120630795) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID120630795
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCCc1noc(-c2ccc(CCNC(=O)c3csc(CCN)n3)cc2)n1
InChIInChI=1S/C18H21N5O2S/c1-2-15-22-18(25-23-15)13-5-3-12(4-6-13)8-10-20-17(24)14-11-26-16(21-14)7-9-19/h3-6,11H,2,7-10,19H2,1H3,(H,20,24)
InChIKeyXNBUSGARKAOZLK-UHFFFAOYSA-N
XLogP2.23
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633662
3-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119317568
(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119317564
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methylpentanamide
CID 119773286
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride
CID 119317584
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-methylpentanamide;hydrochloride
CID 119773273
2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 66389914
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide
CID 119317575
2-(2-aminoethyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388111
2-(2-aminoethyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624690

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide (CID 120630795) is 2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide is CCc1noc(-c2ccc(CCNC(=O)c3csc(CCN)n3)cc2)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XNBUSGARKAOZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-2-15-22-18(25-23-15)13-5-3-12(4-6-13)8-10-20-17(24)14-11-26-16(21-14)7-9-19/h3-6,11H,2,7-10,19H2,1H3,(H,20,24).
What are the key properties of 2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120630795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).