4-cyclopropyl-2-pyrimidin-5-yl-1,3-thiazole

C10H9N3S — CID 131084886

IUPAC4-cyclopropyl-2-pyrimidin-5-yl-1,3-thiazole
SMILESc1ncc(-c2nc(C3CC3)cs2)cn1
InChIInChI=1S/C10H9N3S/c1-2-7(1)9-5-14-10(13-9)8-3-11-6-12-4-8/h3-7H,1-2H2
InChIKeyJIUXCBSZOCPXHG-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.48
Rot. Bonds2

About 4-cyclopropyl-2-pyrimidin-5-yl-1,3-thiazole

4-cyclopropyl-2-pyrimidin-5-yl-1,3-thiazole (PubChem CID 131084886) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 4-cyclopropyl-2-pyrimidin-5-yl-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-2-pyrimidin-5-yl-1,3-thiazole
PubChem CID131084886
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name4-cyclopropyl-2-pyrimidin-5-yl-1,3-thiazole
SMILESc1ncc(-c2nc(C3CC3)cs2)cn1
InChIInChI=1S/C10H9N3S/c1-2-7(1)9-5-14-10(13-9)8-3-11-6-12-4-8/h3-7H,1-2H2
InChIKeyJIUXCBSZOCPXHG-UHFFFAOYSA-N
XLogP2.48
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-pyrimidin-5-yl-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-2-pyrimidin-5-yl-1,3-thiazole (CID 131084886) is 4-cyclopropyl-2-pyrimidin-5-yl-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-2-pyrimidin-5-yl-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-2-pyrimidin-5-yl-1,3-thiazole is c1ncc(-c2nc(C3CC3)cs2)cn1.
What is the InChIKey of 4-cyclopropyl-2-pyrimidin-5-yl-1,3-thiazole?
The InChIKey is JIUXCBSZOCPXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c1-2-7(1)9-5-14-10(13-9)8-3-11-6-12-4-8/h3-7H,1-2H2.
What are the key properties of 4-cyclopropyl-2-pyrimidin-5-yl-1,3-thiazole?
4-cyclopropyl-2-pyrimidin-5-yl-1,3-thiazole has a molecular weight of 203.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-pyrimidin-5-yl-1,3-thiazole is sourced from PubChem (CID 131084886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).