3-chloro-N-[4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-fluoro-4-piperazin-1-ylbenzamide

C18H15Cl2FN4OS2 — CID 11178581

IUPAC3-chloro-N-[4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-fluoro-4-piperazin-1-ylbenzamide
SMILESO=C(Nc1nc(-c2cc(Cl)cs2)cs1)c1cc(F)c(N2CCNCC2)c(Cl)c1
InChIInChI=1S/C18H15Cl2FN4OS2/c19-11-7-15(27-8-11)14-9-28-18(23-14)24-17(26)10-5-12(20)16(13(21)6-10)25-3-1-22-2-4-25/h5-9,22H,1-4H2,(H,23,24,26)
InChIKeyIGDXCJDINIHLMA-UHFFFAOYSA-N
MW457.38 g/mol
LogP4.98
Rot. Bonds4

About 3-chloro-N-[4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-fluoro-4-piperazin-1-ylbenzamide

3-chloro-N-[4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-fluoro-4-piperazin-1-ylbenzamide (PubChem CID 11178581) has the molecular formula C18H15Cl2FN4OS2 and a molecular weight of 457.38 g/mol. Its IUPAC name is 3-chloro-N-[4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-fluoro-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-fluoro-4-piperazin-1-ylbenzamide
PubChem CID11178581
Molecular FormulaC18H15Cl2FN4OS2
Molecular Weight457.38 g/mol
Exact Mass456.00
IUPAC Name3-chloro-N-[4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-fluoro-4-piperazin-1-ylbenzamide
SMILESO=C(Nc1nc(-c2cc(Cl)cs2)cs1)c1cc(F)c(N2CCNCC2)c(Cl)c1
InChIInChI=1S/C18H15Cl2FN4OS2/c19-11-7-15(27-8-11)14-9-28-18(23-14)24-17(26)10-5-12(20)16(13(21)6-10)25-3-1-22-2-4-25/h5-9,22H,1-4H2,(H,23,24,26)
InChIKeyIGDXCJDINIHLMA-UHFFFAOYSA-N
XLogP4.98
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.38
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-fluoro-4-piperazin-1-ylbenzamide?
The IUPAC name of 3-chloro-N-[4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-fluoro-4-piperazin-1-ylbenzamide (CID 11178581) is 3-chloro-N-[4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-fluoro-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 3-chloro-N-[4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-fluoro-4-piperazin-1-ylbenzamide?
The canonical SMILES for 3-chloro-N-[4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-fluoro-4-piperazin-1-ylbenzamide is O=C(Nc1nc(-c2cc(Cl)cs2)cs1)c1cc(F)c(N2CCNCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-fluoro-4-piperazin-1-ylbenzamide?
The InChIKey is IGDXCJDINIHLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN4OS2/c19-11-7-15(27-8-11)14-9-28-18(23-14)24-17(26)10-5-12(20)16(13(21)6-10)25-3-1-22-2-4-25/h5-9,22H,1-4H2,(H,23,24,26).
What are the key properties of 3-chloro-N-[4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-fluoro-4-piperazin-1-ylbenzamide?
3-chloro-N-[4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-fluoro-4-piperazin-1-ylbenzamide has a molecular weight of 457.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-fluoro-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 11178581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).