2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide

C12H15N3O2S — CID 56711673

IUPAC2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCCCc1ccco1
InChIInChI=1S/C12H15N3O2S/c1-8-10(18-12(13)15-8)11(16)14-6-2-4-9-5-3-7-17-9/h3,5,7H,2,4,6H2,1H3,(H2,13,15)(H,14,16)
InChIKeyRIKAUFBOGCRDIM-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.99
Rot. Bonds5

About 2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 56711673) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID56711673
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCCCc1ccco1
InChIInChI=1S/C12H15N3O2S/c1-8-10(18-12(13)15-8)11(16)14-6-2-4-9-5-3-7-17-9/h3,5,7H,2,4,6H2,1H3,(H2,13,15)(H,14,16)
InChIKeyRIKAUFBOGCRDIM-UHFFFAOYSA-N
XLogP1.99
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47015184
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62792596
4-amino-N-[2-(furan-2-yl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116663748
2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 82119492
2-amino-N-[2-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116242
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55114963
N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide
CID 100623229
N-[3-(furan-2-yl)propyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 56759259
N-[3-(furan-2-yl)propyl]-2-(4-methylphenyl)acetamide
CID 53283761
4-amino-N-[2-(furan-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140224
2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 5397151
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792584

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 56711673) is 2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)NCCCc1ccco1.
What is the InChIKey of 2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RIKAUFBOGCRDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8-10(18-12(13)15-8)11(16)14-6-2-4-9-5-3-7-17-9/h3,5,7H,2,4,6H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56711673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).