5-(chloromethyl)-2-propan-2-yl-1,3-thiazole

C7H10ClNS — CID 15290876

IUPAC5-(chloromethyl)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(CCl)s1
InChIInChI=1S/C7H10ClNS/c1-5(2)7-9-4-6(3-8)10-7/h4-5H,3H2,1-2H3
InChIKeyQDERNLYZMPXHLG-UHFFFAOYSA-N
MW175.68 g/mol
LogP3.01
Rot. Bonds2

About 5-(chloromethyl)-2-propan-2-yl-1,3-thiazole

5-(chloromethyl)-2-propan-2-yl-1,3-thiazole (PubChem CID 15290876) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is 5-(chloromethyl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-propan-2-yl-1,3-thiazole
PubChem CID15290876
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC Name5-(chloromethyl)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(CCl)s1
InChIInChI=1S/C7H10ClNS/c1-5(2)7-9-4-6(3-8)10-7/h4-5H,3H2,1-2H3
InChIKeyQDERNLYZMPXHLG-UHFFFAOYSA-N
XLogP3.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-(chloromethyl)-2-propan-2-yl-1,3-thiazole (CID 15290876) is 5-(chloromethyl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(chloromethyl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-(chloromethyl)-2-propan-2-yl-1,3-thiazole is CC(C)c1ncc(CCl)s1.
What is the InChIKey of 5-(chloromethyl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is QDERNLYZMPXHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS/c1-5(2)7-9-4-6(3-8)10-7/h4-5H,3H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-propan-2-yl-1,3-thiazole?
5-(chloromethyl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 175.68 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 15290876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).