4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde

C9H13NOS — CID 105440773

IUPAC4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde
SMILESCCc1nc(C=O)sc1C(C)C
InChIInChI=1S/C9H13NOS/c1-4-7-9(6(2)3)12-8(5-11)10-7/h5-6H,4H2,1-3H3
InChIKeyMFJZFIHFIOSUBL-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.64
Rot. Bonds3

About 4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde

4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde (PubChem CID 105440773) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde
PubChem CID105440773
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde
SMILESCCc1nc(C=O)sc1C(C)C
InChIInChI=1S/C9H13NOS/c1-4-7-9(6(2)3)12-8(5-11)10-7/h5-6H,4H2,1-3H3
InChIKeyMFJZFIHFIOSUBL-UHFFFAOYSA-N
XLogP2.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde (CID 105440773) is 4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde is CCc1nc(C=O)sc1C(C)C.
What is the InChIKey of 4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde?
The InChIKey is MFJZFIHFIOSUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-4-7-9(6(2)3)12-8(5-11)10-7/h5-6H,4H2,1-3H3.
What are the key properties of 4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde?
4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde has a molecular weight of 183.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 105440773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).