1-(5-ethylfuran-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine

C14H21N3OS — CID 62344580

IUPAC1-(5-ethylfuran-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(C)Cc2csc(C)n2)o1
InChIInChI=1S/C14H21N3OS/c1-4-12-5-6-14(18-12)13(7-15)17(3)8-11-9-19-10(2)16-11/h5-6,9,13H,4,7-8,15H2,1-3H3
InChIKeyHZTXIRKSTOYBKO-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.74
Rot. Bonds6

About 1-(5-ethylfuran-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine

1-(5-ethylfuran-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 62344580) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID62344580
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name1-(5-ethylfuran-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(C)Cc2csc(C)n2)o1
InChIInChI=1S/C14H21N3OS/c1-4-12-5-6-14(18-12)13(7-15)17(3)8-11-9-19-10(2)16-11/h5-6,9,13H,4,7-8,15H2,1-3H3
InChIKeyHZTXIRKSTOYBKO-UHFFFAOYSA-N
XLogP2.74
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997064
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 79578770
1-(4-bromo-3-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 81436314
1-(3-chloro-5-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 114453356
1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 104555115
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 55066273
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63982460
N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
CID 76930177
1-(5-ethylfuran-2-yl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62345660
1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 81012833
1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one
CID 62051669

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine (CID 62344580) is 1-(5-ethylfuran-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine is CCc1ccc(C(CN)N(C)Cc2csc(C)n2)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is HZTXIRKSTOYBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-4-12-5-6-14(18-12)13(7-15)17(3)8-11-9-19-10(2)16-11/h5-6,9,13H,4,7-8,15H2,1-3H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
1-(5-ethylfuran-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 279.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62344580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).