N-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide

C13H17N3O2S — CID 54914183

IUPACN-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide
SMILESCc1csc(CNC(C)C(=O)NCc2ccco2)n1
InChIInChI=1S/C13H17N3O2S/c1-9-8-19-12(16-9)7-14-10(2)13(17)15-6-11-4-3-5-18-11/h3-5,8,10,14H,6-7H2,1-2H3,(H,15,17)
InChIKeyKCNXEYHQVNJIBA-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.84
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide

N-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide (PubChem CID 54914183) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide
PubChem CID54914183
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide
SMILESCc1csc(CNC(C)C(=O)NCc2ccco2)n1
InChIInChI=1S/C13H17N3O2S/c1-9-8-19-12(16-9)7-14-10(2)13(17)15-6-11-4-3-5-18-11/h3-5,8,10,14H,6-7H2,1-2H3,(H,15,17)
InChIKeyKCNXEYHQVNJIBA-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 61285392
2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide
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N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
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N-(furan-2-ylmethyl)-2-[(5-nitrothiophen-3-yl)methylamino]propanamide
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2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
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N-(furan-2-ylmethyl)-2-(pyridin-2-ylmethylamino)propanamide
CID 43084599
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
2-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110484612
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide
CID 61043134
2-(furan-2-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 43086708
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 106255709

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide (CID 54914183) is N-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide is Cc1csc(CNC(C)C(=O)NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide?
The InChIKey is KCNXEYHQVNJIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-8-19-12(16-9)7-14-10(2)13(17)15-6-11-4-3-5-18-11/h3-5,8,10,14H,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide?
N-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide has a molecular weight of 279.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide is sourced from PubChem (CID 54914183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).