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

C16H17N5O2S — CID 120637740

IUPAC2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(CCN)n1)c1noc(-c2ccccc2)n1
InChIInChI=1S/C16H17N5O2S/c1-10(18-15(22)12-9-24-13(19-12)7-8-17)14-20-16(23-21-14)11-5-3-2-4-6-11/h2-6,9-10H,7-8,17H2,1H3,(H,18,22)
InChIKeyBFMXONCNZWJGQZ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.19
Rot. Bonds6

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

2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 120637740) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID120637740
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(CCN)n1)c1noc(-c2ccccc2)n1
InChIInChI=1S/C16H17N5O2S/c1-10(18-15(22)12-9-24-13(19-12)7-8-17)14-20-16(23-21-14)11-5-3-2-4-6-11/h2-6,9-10H,7-8,17H2,1H3,(H,18,22)
InChIKeyBFMXONCNZWJGQZ-UHFFFAOYSA-N
XLogP2.19
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637739
3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 119340919
2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride
CID 119340920
2-(2-aminoethyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 66389625
2-(2-aminoethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81390605
2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81356924
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66389448
2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid
CID 66390847
2-(2-aminoethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81368658
2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81371818
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 106388301

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 120637740) is 2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is CC(NC(=O)c1csc(CCN)n1)c1noc(-c2ccccc2)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BFMXONCNZWJGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-10(18-15(22)12-9-24-13(19-12)7-8-17)14-20-16(23-21-14)11-5-3-2-4-6-11/h2-6,9-10H,7-8,17H2,1H3,(H,18,22).
What are the key properties of 2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120637740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).