2,5-dimethyl-4-propan-2-yl-1,3-thiazole

C8H13NS — CID 18335540

IUPAC2,5-dimethyl-4-propan-2-yl-1,3-thiazole
SMILESCc1nc(C(C)C)c(C)s1
InChIInChI=1S/C8H13NS/c1-5(2)8-6(3)10-7(4)9-8/h5H,1-4H3
InChIKeyZGOSOAJCYKTQOJ-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.88
Rot. Bonds1

About 2,5-dimethyl-4-propan-2-yl-1,3-thiazole

2,5-dimethyl-4-propan-2-yl-1,3-thiazole (PubChem CID 18335540) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2,5-dimethyl-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-4-propan-2-yl-1,3-thiazole
PubChem CID18335540
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2,5-dimethyl-4-propan-2-yl-1,3-thiazole
SMILESCc1nc(C(C)C)c(C)s1
InChIInChI=1S/C8H13NS/c1-5(2)8-6(3)10-7(4)9-8/h5H,1-4H3
InChIKeyZGOSOAJCYKTQOJ-UHFFFAOYSA-N
XLogP2.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-4-propan-2-yl-1,3-thiazole (CID 18335540) is 2,5-dimethyl-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-4-propan-2-yl-1,3-thiazole is Cc1nc(C(C)C)c(C)s1.
What is the InChIKey of 2,5-dimethyl-4-propan-2-yl-1,3-thiazole?
The InChIKey is ZGOSOAJCYKTQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-5(2)8-6(3)10-7(4)9-8/h5H,1-4H3.
What are the key properties of 2,5-dimethyl-4-propan-2-yl-1,3-thiazole?
2,5-dimethyl-4-propan-2-yl-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 18335540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).