N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine

C12H16N2OS — CID 104599766

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
SMILESCCc1cnc(NCc2cc(C)oc2C)s1
InChIInChI=1S/C12H16N2OS/c1-4-11-7-14-12(16-11)13-6-10-5-8(2)15-9(10)3/h5,7H,4,6H2,1-3H3,(H,13,14)
InChIKeyXYUMWLDULGGRJW-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.53
Rot. Bonds4

About N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine

N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine (PubChem CID 104599766) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
PubChem CID104599766
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
SMILESCCc1cnc(NCc2cc(C)oc2C)s1
InChIInChI=1S/C12H16N2OS/c1-4-11-7-14-12(16-11)13-6-10-5-8(2)15-9(10)3/h5,7H,4,6H2,1-3H3,(H,13,14)
InChIKeyXYUMWLDULGGRJW-UHFFFAOYSA-N
XLogP3.53
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 104599790
1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 115627575
4-[[(5-ethyl-1,3-thiazol-2-yl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 75505661
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
N-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599797
N-[(2,5-dimethylfuran-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 75521951
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599768
5-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 75505664
N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924732
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 119307130
5-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine
CID 104599802
(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine (CID 104599766) is N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine is CCc1cnc(NCc2cc(C)oc2C)s1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine?
The InChIKey is XYUMWLDULGGRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-4-11-7-14-12(16-11)13-6-10-5-8(2)15-9(10)3/h5,7H,4,6H2,1-3H3,(H,13,14).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine?
N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 104599766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).