5-[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole

C12H14N2OS — CID 126813162

IUPAC5-[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole
SMILESCc1nc(C)c(-c2csc(CC3CC3)n2)o1
InChIInChI=1S/C12H14N2OS/c1-7-12(15-8(2)13-7)10-6-16-11(14-10)5-9-3-4-9/h6,9H,3-5H2,1-2H3
InChIKeyNMTJSKPSCLGUDV-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.37
Rot. Bonds3

About 5-[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole

5-[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole (PubChem CID 126813162) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name5-[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole
PubChem CID126813162
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole
SMILESCc1nc(C)c(-c2csc(CC3CC3)n2)o1
InChIInChI=1S/C12H14N2OS/c1-7-12(15-8(2)13-7)10-6-16-11(14-10)5-9-3-4-9/h6,9H,3-5H2,1-2H3
InChIKeyNMTJSKPSCLGUDV-UHFFFAOYSA-N
XLogP3.37
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole?
The IUPAC name of 5-[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole (CID 126813162) is 5-[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole.
What is the SMILES notation for 5-[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole?
The canonical SMILES for 5-[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole is Cc1nc(C)c(-c2csc(CC3CC3)n2)o1.
What is the InChIKey of 5-[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole?
The InChIKey is NMTJSKPSCLGUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-7-12(15-8(2)13-7)10-6-16-11(14-10)5-9-3-4-9/h6,9H,3-5H2,1-2H3.
What are the key properties of 5-[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole?
5-[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole has a molecular weight of 234.32 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole is sourced from PubChem (CID 126813162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).