3-(4-chloro-3-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C15H15Cl2N3O2S — CID 162673076

IUPAC3-(4-chloro-3-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(OC2CCN(C(=O)Nc3ncc(Cl)s3)C2)ccc1Cl
InChIInChI=1S/C15H15Cl2N3O2S/c1-9-6-10(2-3-12(9)16)22-11-4-5-20(8-11)15(21)19-14-18-7-13(17)23-14/h2-3,6-7,11H,4-5,8H2,1H3,(H,18,19,21)
InChIKeyLUSWBGKAUNFMSF-UHFFFAOYSA-N
MW372.28 g/mol
LogP4.44
Rot. Bonds3

About 3-(4-chloro-3-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

3-(4-chloro-3-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 162673076) has the molecular formula C15H15Cl2N3O2S and a molecular weight of 372.28 g/mol. Its IUPAC name is 3-(4-chloro-3-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID162673076
Molecular FormulaC15H15Cl2N3O2S
Molecular Weight372.28 g/mol
Exact Mass371.03
IUPAC Name3-(4-chloro-3-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(OC2CCN(C(=O)Nc3ncc(Cl)s3)C2)ccc1Cl
InChIInChI=1S/C15H15Cl2N3O2S/c1-9-6-10(2-3-12(9)16)22-11-4-5-20(8-11)15(21)19-14-18-7-13(17)23-14/h2-3,6-7,11H,4-5,8H2,1H3,(H,18,19,21)
InChIKeyLUSWBGKAUNFMSF-UHFFFAOYSA-N
XLogP4.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(4-chloro-3-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 162673076) is 3-(4-chloro-3-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(4-chloro-3-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is Cc1cc(OC2CCN(C(=O)Nc3ncc(Cl)s3)C2)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is LUSWBGKAUNFMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2S/c1-9-6-10(2-3-12(9)16)22-11-4-5-20(8-11)15(21)19-14-18-7-13(17)23-14/h2-3,6-7,11H,4-5,8H2,1H3,(H,18,19,21).
What are the key properties of 3-(4-chloro-3-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
3-(4-chloro-3-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 372.28 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 162673076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).