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

C13H17N3O2S — CID 119434138

IUPACN-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SMILESCNCCCNC(=O)c1csc(-c2ccc(C)o2)n1
InChIInChI=1S/C13H17N3O2S/c1-9-4-5-11(18-9)13-16-10(8-19-13)12(17)15-7-3-6-14-2/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyYFPFDLIFYFVNRK-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.05
Rot. Bonds6

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

N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 119434138) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID119434138
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SMILESCNCCCNC(=O)c1csc(-c2ccc(C)o2)n1
InChIInChI=1S/C13H17N3O2S/c1-9-4-5-11(18-9)13-16-10(8-19-13)12(17)15-7-3-6-14-2/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyYFPFDLIFYFVNRK-UHFFFAOYSA-N
XLogP2.05
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.05
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;hydrochloride
CID 119434137
N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119504269
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
2-(2-chlorophenyl)-N-[3-(methylamino)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119431166
N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119434158
N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119568385
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 111482189
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120889232
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide (CID 119434138) is N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide is CNCCCNC(=O)c1csc(-c2ccc(C)o2)n1.
What is the InChIKey of N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YFPFDLIFYFVNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-4-5-11(18-9)13-16-10(8-19-13)12(17)15-7-3-6-14-2/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119434138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).