N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide

C13H17N3O2S — CID 65151582

IUPACN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2nc(C(C)N)cs2)c1C
InChIInChI=1S/C13H17N3O2S/c1-6-8(3)18-9(4)11(6)12(17)16-13-15-10(5-19-13)7(2)14/h5,7H,14H2,1-4H3,(H,15,16,17)
InChIKeyQWQNSPLZMJDFPM-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.93
Rot. Bonds3

About N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 65151582) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide
PubChem CID65151582
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2nc(C(C)N)cs2)c1C
InChIInChI=1S/C13H17N3O2S/c1-6-8(3)18-9(4)11(6)12(17)16-13-15-10(5-19-13)7(2)14/h5,7H,14H2,1-4H3,(H,15,16,17)
InChIKeyQWQNSPLZMJDFPM-UHFFFAOYSA-N
XLogP2.93
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 65151630
[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea
CID 64557109
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 64555667
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 64555861
ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate
CID 64556710
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 64557648
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide
CID 64557841
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-3-methylbenzamide
CID 81482142
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide
CID 65432061
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 64556257
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,3-dihydroxybenzamide
CID 114343473
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 64558447

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide (CID 65151582) is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)Nc2nc(C(C)N)cs2)c1C.
What is the InChIKey of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is QWQNSPLZMJDFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-6-8(3)18-9(4)11(6)12(17)16-13-15-10(5-19-13)7(2)14/h5,7H,14H2,1-4H3,(H,15,16,17).
What are the key properties of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide?
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 65151582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).