4-(4-chlorophenyl)-2-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,3-thiazole

C18H15ClN2OS — CID 118709510

IUPAC4-(4-chlorophenyl)-2-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,3-thiazole
SMILESClc1ccc(-c2csc(-c3ccnc(OCC4CC4)c3)n2)cc1
InChIInChI=1S/C18H15ClN2OS/c19-15-5-3-13(4-6-15)16-11-23-18(21-16)14-7-8-20-17(9-14)22-10-12-1-2-12/h3-9,11-12H,1-2,10H2
InChIKeyANYGNVAFEYMSNJ-UHFFFAOYSA-N
MW342.85 g/mol
LogP5.31
Rot. Bonds5

About 4-(4-chlorophenyl)-2-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,3-thiazole

4-(4-chlorophenyl)-2-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,3-thiazole (PubChem CID 118709510) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,3-thiazole
PubChem CID118709510
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC Name4-(4-chlorophenyl)-2-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,3-thiazole
SMILESClc1ccc(-c2csc(-c3ccnc(OCC4CC4)c3)n2)cc1
InChIInChI=1S/C18H15ClN2OS/c19-15-5-3-13(4-6-15)16-11-23-18(21-16)14-7-8-20-17(9-14)22-10-12-1-2-12/h3-9,11-12H,1-2,10H2
InChIKeyANYGNVAFEYMSNJ-UHFFFAOYSA-N
XLogP5.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.85
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,3-thiazole (CID 118709510) is 4-(4-chlorophenyl)-2-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,3-thiazole is Clc1ccc(-c2csc(-c3ccnc(OCC4CC4)c3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,3-thiazole?
The InChIKey is ANYGNVAFEYMSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c19-15-5-3-13(4-6-15)16-11-23-18(21-16)14-7-8-20-17(9-14)22-10-12-1-2-12/h3-9,11-12H,1-2,10H2.
What are the key properties of 4-(4-chlorophenyl)-2-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,3-thiazole has a molecular weight of 342.85 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 118709510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).