4-propan-2-yl-N-prop-2-enyl-1,3-thiazol-2-amine

C9H14N2S — CID 130159162

IUPAC4-propan-2-yl-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(C(C)C)cs1
InChIInChI=1S/C9H14N2S/c1-4-5-10-9-11-8(6-12-9)7(2)3/h4,6-7H,1,5H2,2-3H3,(H,10,11)
InChIKeyWSJVBTSLTWGHPQ-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.86
Rot. Bonds4

About 4-propan-2-yl-N-prop-2-enyl-1,3-thiazol-2-amine

4-propan-2-yl-N-prop-2-enyl-1,3-thiazol-2-amine (PubChem CID 130159162) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 4-propan-2-yl-N-prop-2-enyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-prop-2-enyl-1,3-thiazol-2-amine
PubChem CID130159162
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name4-propan-2-yl-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(C(C)C)cs1
InChIInChI=1S/C9H14N2S/c1-4-5-10-9-11-8(6-12-9)7(2)3/h4,6-7H,1,5H2,2-3H3,(H,10,11)
InChIKeyWSJVBTSLTWGHPQ-UHFFFAOYSA-N
XLogP2.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-prop-2-enyl-1,3-thiazol-2-amine?
The IUPAC name of 4-propan-2-yl-N-prop-2-enyl-1,3-thiazol-2-amine (CID 130159162) is 4-propan-2-yl-N-prop-2-enyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-propan-2-yl-N-prop-2-enyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-propan-2-yl-N-prop-2-enyl-1,3-thiazol-2-amine is C=CCNc1nc(C(C)C)cs1.
What is the InChIKey of 4-propan-2-yl-N-prop-2-enyl-1,3-thiazol-2-amine?
The InChIKey is WSJVBTSLTWGHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-4-5-10-9-11-8(6-12-9)7(2)3/h4,6-7H,1,5H2,2-3H3,(H,10,11).
What are the key properties of 4-propan-2-yl-N-prop-2-enyl-1,3-thiazol-2-amine?
4-propan-2-yl-N-prop-2-enyl-1,3-thiazol-2-amine has a molecular weight of 182.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-prop-2-enyl-1,3-thiazol-2-amine is sourced from PubChem (CID 130159162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).