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

C12H15N3O2S — CID 119504269

IUPACN-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SMILESCNCCNC(=O)c1csc(-c2ccc(C)o2)n1
InChIInChI=1S/C12H15N3O2S/c1-8-3-4-10(17-8)12-15-9(7-18-12)11(16)14-6-5-13-2/h3-4,7,13H,5-6H2,1-2H3,(H,14,16)
InChIKeyYFLHGCGJVLVGDV-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.66
Rot. Bonds5

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

N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 119504269) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID119504269
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SMILESCNCCNC(=O)c1csc(-c2ccc(C)o2)n1
InChIInChI=1S/C12H15N3O2S/c1-8-3-4-10(17-8)12-15-9(7-18-12)11(16)14-6-5-13-2/h3-4,7,13H,5-6H2,1-2H3,(H,14,16)
InChIKeyYFLHGCGJVLVGDV-UHFFFAOYSA-N
XLogP1.66
TPSA67.16 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 ≤ 51.66
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-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119434138
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119434137
2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
CID 39905459
N-(2-amino-2-ethylbutyl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119643826
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 86982381
4-methyl-N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503082
N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119503151
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 111482189
2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 78870009
2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119206330
N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119568385
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120889232

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide (CID 119504269) is N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide is CNCCNC(=O)c1csc(-c2ccc(C)o2)n1.
What is the InChIKey of N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YFLHGCGJVLVGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8-3-4-10(17-8)12-15-9(7-18-12)11(16)14-6-5-13-2/h3-4,7,13H,5-6H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119504269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).