N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine

C13H18N2OS — CID 64540987

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine
SMILESCc1nc(C)c(CNC(C)Cc2ccco2)s1
InChIInChI=1S/C13H18N2OS/c1-9(7-12-5-4-6-16-12)14-8-13-10(2)15-11(3)17-13/h4-6,9,14H,7-8H2,1-3H3
InChIKeyFJCXODJEQLRBIP-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.07
Rot. Bonds5

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine (PubChem CID 64540987) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine
PubChem CID64540987
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine
SMILESCc1nc(C)c(CNC(C)Cc2ccco2)s1
InChIInChI=1S/C13H18N2OS/c1-9(7-12-5-4-6-16-12)14-8-13-10(2)15-11(3)17-13/h4-6,9,14H,7-8H2,1-3H3
InChIKeyFJCXODJEQLRBIP-UHFFFAOYSA-N
XLogP3.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
CID 115618496
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 64539318
1-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943029
1-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43432946
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine
CID 66379865
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine
CID 115660798
1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine
CID 106894984
N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982537
1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine
CID 62475299
(2S)-1-(furan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 93264764
1-(furan-2-yl)-N-(quinolin-2-ylmethyl)propan-2-amine
CID 61043173
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine (CID 64540987) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine is Cc1nc(C)c(CNC(C)Cc2ccco2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine?
The InChIKey is FJCXODJEQLRBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9(7-12-5-4-6-16-12)14-8-13-10(2)15-11(3)17-13/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine has a molecular weight of 250.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 64540987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).