2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide

C12H14N4O2S — CID 110511354

IUPAC2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N)sc1C(=O)N/N=C\c1ccc(C)o1
InChIInChI=1S/C12H14N4O2S/c1-3-9-10(19-12(13)15-9)11(17)16-14-6-8-5-4-7(2)18-8/h4-6H,3H2,1-2H3,(H2,13,15)(H,16,17)/b14-6-
InChIKeyXELZYIMCQPXVFU-NSIKDUERSA-N
MW278.34 g/mol
LogP1.95
Rot. Bonds4

About 2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide

2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide (PubChem CID 110511354) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide
PubChem CID110511354
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N)sc1C(=O)N/N=C\c1ccc(C)o1
InChIInChI=1S/C12H14N4O2S/c1-3-9-10(19-12(13)15-9)11(17)16-14-6-8-5-4-7(2)18-8/h4-6H,3H2,1-2H3,(H2,13,15)(H,16,17)/b14-6-
InChIKeyXELZYIMCQPXVFU-NSIKDUERSA-N
XLogP1.95
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide
CID 110511394
2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 136787337
4-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]thiadiazole-5-carboxamide
CID 5403819
2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 110511444
2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 110511360
2-amino-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 135716646
2-amino-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 136787353
2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 5397151
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
2-amino-N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 110511422
2-amino-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 110511440
3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 5375396

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide (CID 110511354) is 2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide is CCc1nc(N)sc1C(=O)N/N=C\c1ccc(C)o1.
What is the InChIKey of 2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide?
The InChIKey is XELZYIMCQPXVFU-NSIKDUERSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-3-9-10(19-12(13)15-9)11(17)16-14-6-8-5-4-7(2)18-8/h4-6H,3H2,1-2H3,(H2,13,15)(H,16,17)/b14-6-.
What are the key properties of 2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide?
2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110511354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).