2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carbaldehyde

C10H16N2OS — CID 62756528

IUPAC2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCCCN(c1ncc(C=O)s1)C(C)C
InChIInChI=1S/C10H16N2OS/c1-4-5-12(8(2)3)10-11-6-9(7-13)14-10/h6-8H,4-5H2,1-3H3
InChIKeyXYBUALNWGLZPSL-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.58
Rot. Bonds5

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

2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 62756528) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID62756528
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCCCN(c1ncc(C=O)s1)C(C)C
InChIInChI=1S/C10H16N2OS/c1-4-5-12(8(2)3)10-11-6-9(7-13)14-10/h6-8H,4-5H2,1-3H3
InChIKeyXYBUALNWGLZPSL-UHFFFAOYSA-N
XLogP2.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carbaldehyde (CID 62756528) is 2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carbaldehyde is CCCN(c1ncc(C=O)s1)C(C)C.
What is the InChIKey of 2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is XYBUALNWGLZPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-5-12(8(2)3)10-11-6-9(7-13)14-10/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carbaldehyde?
2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 212.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62756528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).