4-tert-butyl-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)methyl]-1,3-thiazole

C14H18ClN3S — CID 79817756

IUPAC4-tert-butyl-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)methyl]-1,3-thiazole
SMILESCc1c(Cl)nnc(Cc2nc(C(C)(C)C)cs2)c1C
InChIInChI=1S/C14H18ClN3S/c1-8-9(2)13(15)18-17-10(8)6-12-16-11(7-19-12)14(3,4)5/h7H,6H2,1-5H3
InChIKeyGCXRBUIRHKEDHX-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.09
Rot. Bonds2

About 4-tert-butyl-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)methyl]-1,3-thiazole

4-tert-butyl-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)methyl]-1,3-thiazole (PubChem CID 79817756) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 4-tert-butyl-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)methyl]-1,3-thiazole
PubChem CID79817756
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name4-tert-butyl-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)methyl]-1,3-thiazole
SMILESCc1c(Cl)nnc(Cc2nc(C(C)(C)C)cs2)c1C
InChIInChI=1S/C14H18ClN3S/c1-8-9(2)13(15)18-17-10(8)6-12-16-11(7-19-12)14(3,4)5/h7H,6H2,1-5H3
InChIKeyGCXRBUIRHKEDHX-UHFFFAOYSA-N
XLogP4.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)methyl]-1,3-thiazole (CID 79817756) is 4-tert-butyl-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)methyl]-1,3-thiazole is Cc1c(Cl)nnc(Cc2nc(C(C)(C)C)cs2)c1C.
What is the InChIKey of 4-tert-butyl-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)methyl]-1,3-thiazole?
The InChIKey is GCXRBUIRHKEDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-8-9(2)13(15)18-17-10(8)6-12-16-11(7-19-12)14(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 4-tert-butyl-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)methyl]-1,3-thiazole?
4-tert-butyl-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)methyl]-1,3-thiazole has a molecular weight of 295.84 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 79817756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).