N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C11H13N3O2S — CID 64557656

IUPACN-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCNC(C)c1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C11H13N3O2S/c1-7(12-2)8-6-17-11(13-8)14-10(15)9-4-3-5-16-9/h3-7,12H,1-2H3,(H,13,14,15)
InChIKeyFSZMJJZYXASLEQ-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.27
Rot. Bonds4

About N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 64557656) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID64557656
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCNC(C)c1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C11H13N3O2S/c1-7(12-2)8-6-17-11(13-8)14-10(15)9-4-3-5-16-9/h3-7,12H,1-2H3,(H,13,14,15)
InChIKeyFSZMJJZYXASLEQ-UHFFFAOYSA-N
XLogP2.27
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 64558252
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 64557853
N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40881647
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 3602054
N-[4-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 25362530
2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide
CID 64557263
2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64556868
1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea
CID 64556505
2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 64555679
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 4061506
N-[4-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 51213959

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 64557656) is N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is CNC(C)c1csc(NC(=O)c2ccco2)n1.
What is the InChIKey of N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is FSZMJJZYXASLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7(12-2)8-6-17-11(13-8)14-10(15)9-4-3-5-16-9/h3-7,12H,1-2H3,(H,13,14,15).
What are the key properties of N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 64557656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).