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

C9H13NOS — CID 105440776

IUPAC5-ethyl-4-propan-2-yl-1,3-thiazole-2-carbaldehyde
SMILESCCc1sc(C=O)nc1C(C)C
InChIInChI=1S/C9H13NOS/c1-4-7-9(6(2)3)10-8(5-11)12-7/h5-6H,4H2,1-3H3
InChIKeyYBKNSGFBXWRLQW-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.64
Rot. Bonds3

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

5-ethyl-4-propan-2-yl-1,3-thiazole-2-carbaldehyde (PubChem CID 105440776) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 5-ethyl-4-propan-2-yl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-4-propan-2-yl-1,3-thiazole-2-carbaldehyde
PubChem CID105440776
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name5-ethyl-4-propan-2-yl-1,3-thiazole-2-carbaldehyde
SMILESCCc1sc(C=O)nc1C(C)C
InChIInChI=1S/C9H13NOS/c1-4-7-9(6(2)3)10-8(5-11)12-7/h5-6H,4H2,1-3H3
InChIKeyYBKNSGFBXWRLQW-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 105434610
4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde
CID 105440773
5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde
CID 105489991
2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid
CID 82069378
5-(ethylaminomethyl)-N-methyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79395786
N-[[2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82434472
5-ethyl-4-propan-2-ylthiadiazole
CID 67890638
2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile
CID 82433596
2-[butan-2-yl(butyl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 79393324
2-[pentyl(propan-2-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 79393038
2-ethyl-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82433582
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434587

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-propan-2-yl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-ethyl-4-propan-2-yl-1,3-thiazole-2-carbaldehyde (CID 105440776) is 5-ethyl-4-propan-2-yl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-ethyl-4-propan-2-yl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-ethyl-4-propan-2-yl-1,3-thiazole-2-carbaldehyde is CCc1sc(C=O)nc1C(C)C.
What is the InChIKey of 5-ethyl-4-propan-2-yl-1,3-thiazole-2-carbaldehyde?
The InChIKey is YBKNSGFBXWRLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-4-7-9(6(2)3)10-8(5-11)12-7/h5-6H,4H2,1-3H3.
What are the key properties of 5-ethyl-4-propan-2-yl-1,3-thiazole-2-carbaldehyde?
5-ethyl-4-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 5-ethyl-4-propan-2-yl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 105440776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).