5-(chloromethyl)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole

C12H11ClN4S — CID 62489333

IUPAC5-(chloromethyl)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole
SMILESClCc1c(-n2ccc(C3CC3)n2)nc2sccn12
InChIInChI=1S/C12H11ClN4S/c13-7-10-11(14-12-16(10)5-6-18-12)17-4-3-9(15-17)8-1-2-8/h3-6,8H,1-2,7H2
InChIKeyLZJBHDQQDNLCAH-UHFFFAOYSA-N
MW278.77 g/mol
LogP3.20
Rot. Bonds3

About 5-(chloromethyl)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole

5-(chloromethyl)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 62489333) has the molecular formula C12H11ClN4S and a molecular weight of 278.77 g/mol. Its IUPAC name is 5-(chloromethyl)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID62489333
Molecular FormulaC12H11ClN4S
Molecular Weight278.77 g/mol
Exact Mass278.04
IUPAC Name5-(chloromethyl)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole
SMILESClCc1c(-n2ccc(C3CC3)n2)nc2sccn12
InChIInChI=1S/C12H11ClN4S/c13-7-10-11(14-12-16(10)5-6-18-12)17-4-3-9(15-17)8-1-2-8/h3-6,8H,1-2,7H2
InChIKeyLZJBHDQQDNLCAH-UHFFFAOYSA-N
XLogP3.20
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.77
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(chloromethyl)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole (CID 62489333) is 5-(chloromethyl)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(chloromethyl)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(chloromethyl)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole is ClCc1c(-n2ccc(C3CC3)n2)nc2sccn12.
What is the InChIKey of 5-(chloromethyl)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is LZJBHDQQDNLCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4S/c13-7-10-11(14-12-16(10)5-6-18-12)17-4-3-9(15-17)8-1-2-8/h3-6,8H,1-2,7H2.
What are the key properties of 5-(chloromethyl)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole?
5-(chloromethyl)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 278.77 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 62489333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).