5-butylnonan-5-yl-[4-(difluoromethyl)-1,3-thiazol-2-yl]tin

C17H29F2NSSn — CID 178077119

IUPAC5-butylnonan-5-yl-[4-(difluoromethyl)-1,3-thiazol-2-yl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1nc(C(F)F)cs1
InChIInChI=1S/C13H27.C4H2F2NS.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;5-4(6)3-1-8-2-7-3;/h4-12H2,1-3H3;1,4H;
InChIKeyZSNQYFYMZZYLJV-UHFFFAOYSA-N
MW436.20 g/mol
LogP6.14
Rot. Bonds12

About 5-butylnonan-5-yl-[4-(difluoromethyl)-1,3-thiazol-2-yl]tin

5-butylnonan-5-yl-[4-(difluoromethyl)-1,3-thiazol-2-yl]tin (PubChem CID 178077119) has the molecular formula C17H29F2NSSn and a molecular weight of 436.20 g/mol. Its IUPAC name is 5-butylnonan-5-yl-[4-(difluoromethyl)-1,3-thiazol-2-yl]tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-[4-(difluoromethyl)-1,3-thiazol-2-yl]tin
PubChem CID178077119
Molecular FormulaC17H29F2NSSn
Molecular Weight436.20 g/mol
Exact Mass437.10
IUPAC Name5-butylnonan-5-yl-[4-(difluoromethyl)-1,3-thiazol-2-yl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1nc(C(F)F)cs1
InChIInChI=1S/C13H27.C4H2F2NS.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;5-4(6)3-1-8-2-7-3;/h4-12H2,1-3H3;1,4H;
InChIKeyZSNQYFYMZZYLJV-UHFFFAOYSA-N
XLogP6.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.20
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-[4-(difluoromethyl)-1,3-thiazol-2-yl]tin?
The IUPAC name of 5-butylnonan-5-yl-[4-(difluoromethyl)-1,3-thiazol-2-yl]tin (CID 178077119) is 5-butylnonan-5-yl-[4-(difluoromethyl)-1,3-thiazol-2-yl]tin.
What is the SMILES notation for 5-butylnonan-5-yl-[4-(difluoromethyl)-1,3-thiazol-2-yl]tin?
The canonical SMILES for 5-butylnonan-5-yl-[4-(difluoromethyl)-1,3-thiazol-2-yl]tin is CCCCC(CCCC)(CCCC)[Sn]c1nc(C(F)F)cs1.
What is the InChIKey of 5-butylnonan-5-yl-[4-(difluoromethyl)-1,3-thiazol-2-yl]tin?
The InChIKey is ZSNQYFYMZZYLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C4H2F2NS.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;5-4(6)3-1-8-2-7-3;/h4-12H2,1-3H3;1,4H;.
What are the key properties of 5-butylnonan-5-yl-[4-(difluoromethyl)-1,3-thiazol-2-yl]tin?
5-butylnonan-5-yl-[4-(difluoromethyl)-1,3-thiazol-2-yl]tin has a molecular weight of 436.20 g/mol, XLogP of 6.14, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-[4-(difluoromethyl)-1,3-thiazol-2-yl]tin is sourced from PubChem (CID 178077119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).