N-ethyl-3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine

C12H20N2S — CID 79338795

IUPACN-ethyl-3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine
SMILESCCNCC(=Cc1scnc1C)C(C)C
InChIInChI=1S/C12H20N2S/c1-5-13-7-11(9(2)3)6-12-10(4)14-8-15-12/h6,8-9,13H,5,7H2,1-4H3
InChIKeyJNQXYGMQZRYPAP-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.10
Rot. Bonds5

About N-ethyl-3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine

N-ethyl-3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine (PubChem CID 79338795) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine
PubChem CID79338795
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-ethyl-3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine
SMILESCCNCC(=Cc1scnc1C)C(C)C
InChIInChI=1S/C12H20N2S/c1-5-13-7-11(9(2)3)6-12-10(4)14-8-15-12/h6,8-9,13H,5,7H2,1-4H3
InChIKeyJNQXYGMQZRYPAP-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enoate
CID 104503690
N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine
CID 103571015
4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole
CID 169493606
N-[(2E,4E)-2-methyl-5-(4-methyl-1,3-thiazol-5-yl)penta-2,4-dienyl]formamide
CID 176948249
methyl 2-cyano-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enoate
CID 122525902
N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine
CID 105163726
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
CID 153380249
2-methyl-3-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanal
CID 174781846
N-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368513
N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79339792
2-[(Z)-1-(4-methyl-1,3-thiazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one
CID 136702176
4-ethyl-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-thiazole
CID 166866048

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine (CID 79338795) is N-ethyl-3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine is CCNCC(=Cc1scnc1C)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine?
The InChIKey is JNQXYGMQZRYPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-5-13-7-11(9(2)3)6-12-10(4)14-8-15-12/h6,8-9,13H,5,7H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine?
N-ethyl-3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine is sourced from PubChem (CID 79338795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).