4-cyclopropyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole

C9H15NS — CID 139360657

IUPAC4-cyclopropyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
SMILESCC(C)C1NC(C2CC2)=CS1
InChIInChI=1S/C9H15NS/c1-6(2)9-10-8(5-11-9)7-3-4-7/h5-7,9-10H,3-4H2,1-2H3
InChIKeyGPTYQIJEPPPAAY-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.56
Rot. Bonds2

About 4-cyclopropyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole

4-cyclopropyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole (PubChem CID 139360657) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 4-cyclopropyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
PubChem CID139360657
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name4-cyclopropyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
SMILESCC(C)C1NC(C2CC2)=CS1
InChIInChI=1S/C9H15NS/c1-6(2)9-10-8(5-11-9)7-3-4-7/h5-7,9-10H,3-4H2,1-2H3
InChIKeyGPTYQIJEPPPAAY-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole (CID 139360657) is 4-cyclopropyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole is CC(C)C1NC(C2CC2)=CS1.
What is the InChIKey of 4-cyclopropyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole?
The InChIKey is GPTYQIJEPPPAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-6(2)9-10-8(5-11-9)7-3-4-7/h5-7,9-10H,3-4H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole?
4-cyclopropyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 139360657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).