5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide

C13H17N3O2S — CID 115740766

IUPAC5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
SMILESCCc1cnc(C(C)NC(=O)c2ccc(CN)o2)s1
InChIInChI=1S/C13H17N3O2S/c1-3-10-7-15-13(19-10)8(2)16-12(17)11-5-4-9(6-14)18-11/h4-5,7-8H,3,6,14H2,1-2H3,(H,16,17)
InChIKeyUWYAQSMDHPWUIX-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.25
Rot. Bonds5

About 5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide

5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide (PubChem CID 115740766) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
PubChem CID115740766
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
SMILESCCc1cnc(C(C)NC(=O)c2ccc(CN)o2)s1
InChIInChI=1S/C13H17N3O2S/c1-3-10-7-15-13(19-10)8(2)16-12(17)11-5-4-9(6-14)18-11/h4-5,7-8H,3,6,14H2,1-2H3,(H,16,17)
InChIKeyUWYAQSMDHPWUIX-UHFFFAOYSA-N
XLogP2.25
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydroxybenzamide
CID 112696838
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide
CID 113251187
5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide
CID 81401039
3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 113267212
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide
CID 107034319
2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103883113
3-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112696811
4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115679309
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 113387514
5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide
CID 81354268
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide
CID 115679317
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide (CID 115740766) is 5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide is CCc1cnc(C(C)NC(=O)c2ccc(CN)o2)s1.
What is the InChIKey of 5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is UWYAQSMDHPWUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-10-7-15-13(19-10)8(2)16-12(17)11-5-4-9(6-14)18-11/h4-5,7-8H,3,6,14H2,1-2H3,(H,16,17).
What are the key properties of 5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide?
5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 115740766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).