4-(chloromethyl)-2-propan-2-yl-1,3-thiazole;hydrochloride

C7H11Cl2NS — CID 18758846

IUPAC4-(chloromethyl)-2-propan-2-yl-1,3-thiazole;hydrochloride
SMILESCC(C)c1nc(CCl)cs1.Cl
InChIInChI=1S/C7H10ClNS.ClH/c1-5(2)7-9-6(3-8)4-10-7;/h4-5H,3H2,1-2H3;1H
InChIKeyCSTGNMKKUNFVGV-UHFFFAOYSA-N
MW212.14 g/mol
LogP3.43
Rot. Bonds2

About 4-(chloromethyl)-2-propan-2-yl-1,3-thiazole;hydrochloride

4-(chloromethyl)-2-propan-2-yl-1,3-thiazole;hydrochloride (PubChem CID 18758846) has the molecular formula C7H11Cl2NS and a molecular weight of 212.14 g/mol. Its IUPAC name is 4-(chloromethyl)-2-propan-2-yl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(chloromethyl)-2-propan-2-yl-1,3-thiazole;hydrochloride
PubChem CID18758846
Molecular FormulaC7H11Cl2NS
Molecular Weight212.14 g/mol
Exact Mass211.00
IUPAC Name4-(chloromethyl)-2-propan-2-yl-1,3-thiazole;hydrochloride
SMILESCC(C)c1nc(CCl)cs1.Cl
InChIInChI=1S/C7H10ClNS.ClH/c1-5(2)7-9-6(3-8)4-10-7;/h4-5H,3H2,1-2H3;1H
InChIKeyCSTGNMKKUNFVGV-UHFFFAOYSA-N
XLogP3.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 53.43
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 4-(chloromethyl)-2-propan-2-yl-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(chloromethyl)-2-propan-2-yl-1,3-thiazole;hydrochloride (CID 18758846) is 4-(chloromethyl)-2-propan-2-yl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(chloromethyl)-2-propan-2-yl-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(chloromethyl)-2-propan-2-yl-1,3-thiazole;hydrochloride is CC(C)c1nc(CCl)cs1.Cl.
What is the InChIKey of 4-(chloromethyl)-2-propan-2-yl-1,3-thiazole;hydrochloride?
The InChIKey is CSTGNMKKUNFVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS.ClH/c1-5(2)7-9-6(3-8)4-10-7;/h4-5H,3H2,1-2H3;1H.
What are the key properties of 4-(chloromethyl)-2-propan-2-yl-1,3-thiazole;hydrochloride?
4-(chloromethyl)-2-propan-2-yl-1,3-thiazole;hydrochloride has a molecular weight of 212.14 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-propan-2-yl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 18758846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).