2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carbaldehyde

C14H18N2O2S — CID 62764045

IUPAC2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N(C)Cc2ccc(C)o2)sc1C=O
InChIInChI=1S/C14H18N2O2S/c1-4-5-12-13(9-17)19-14(15-12)16(3)8-11-7-6-10(2)18-11/h6-7,9H,4-5,8H2,1-3H3
InChIKeyFMDDFZNHWDHGIU-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.45
Rot. Bonds6

About 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carbaldehyde

2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62764045) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carbaldehyde
PubChem CID62764045
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N(C)Cc2ccc(C)o2)sc1C=O
InChIInChI=1S/C14H18N2O2S/c1-4-5-12-13(9-17)19-14(15-12)16(3)8-11-7-6-10(2)18-11/h6-7,9H,4-5,8H2,1-3H3
InChIKeyFMDDFZNHWDHGIU-UHFFFAOYSA-N
XLogP3.45
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carbaldehyde (CID 62764045) is 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carbaldehyde is CCCc1nc(N(C)Cc2ccc(C)o2)sc1C=O.
What is the InChIKey of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is FMDDFZNHWDHGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-5-12-13(9-17)19-14(15-12)16(3)8-11-7-6-10(2)18-11/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 278.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62764045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).