6-(3-chloro-4-pyridinyl)-3-cyclohexa-1,3-dien-1-yl-N-cyclohexylimidazo[2,1-b][1,3]thiazol-5-amine

C22H23ClN4S — CID 71016448

IUPAC6-(3-chloro-4-pyridinyl)-3-cyclohexa-1,3-dien-1-yl-N-cyclohexylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESClc1cnccc1-c1nc2scc(C3=CC=CCC3)n2c1NC1CCCCC1
InChIInChI=1S/C22H23ClN4S/c23-18-13-24-12-11-17(18)20-21(25-16-9-5-2-6-10-16)27-19(14-28-22(27)26-20)15-7-3-1-4-8-15/h1,3,7,11-14,16,25H,2,4-6,8-10H2
InChIKeyNEYAZHJZDWMBCW-UHFFFAOYSA-N
MW410.97 g/mol
LogP6.59
Rot. Bonds4

About 6-(3-chloro-4-pyridinyl)-3-cyclohexa-1,3-dien-1-yl-N-cyclohexylimidazo[2,1-b][1,3]thiazol-5-amine

6-(3-chloro-4-pyridinyl)-3-cyclohexa-1,3-dien-1-yl-N-cyclohexylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 71016448) has the molecular formula C22H23ClN4S and a molecular weight of 410.97 g/mol. Its IUPAC name is 6-(3-chloro-4-pyridinyl)-3-cyclohexa-1,3-dien-1-yl-N-cyclohexylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name6-(3-chloro-4-pyridinyl)-3-cyclohexa-1,3-dien-1-yl-N-cyclohexylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID71016448
Molecular FormulaC22H23ClN4S
Molecular Weight410.97 g/mol
Exact Mass410.13
IUPAC Name6-(3-chloro-4-pyridinyl)-3-cyclohexa-1,3-dien-1-yl-N-cyclohexylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESClc1cnccc1-c1nc2scc(C3=CC=CCC3)n2c1NC1CCCCC1
InChIInChI=1S/C22H23ClN4S/c23-18-13-24-12-11-17(18)20-21(25-16-9-5-2-6-10-16)27-19(14-28-22(27)26-20)15-7-3-1-4-8-15/h1,3,7,11-14,16,25H,2,4-6,8-10H2
InChIKeyNEYAZHJZDWMBCW-UHFFFAOYSA-N
XLogP6.59
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.97
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-pyridinyl)-3-cyclohexa-1,3-dien-1-yl-N-cyclohexylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 6-(3-chloro-4-pyridinyl)-3-cyclohexa-1,3-dien-1-yl-N-cyclohexylimidazo[2,1-b][1,3]thiazol-5-amine (CID 71016448) is 6-(3-chloro-4-pyridinyl)-3-cyclohexa-1,3-dien-1-yl-N-cyclohexylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 6-(3-chloro-4-pyridinyl)-3-cyclohexa-1,3-dien-1-yl-N-cyclohexylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 6-(3-chloro-4-pyridinyl)-3-cyclohexa-1,3-dien-1-yl-N-cyclohexylimidazo[2,1-b][1,3]thiazol-5-amine is Clc1cnccc1-c1nc2scc(C3=CC=CCC3)n2c1NC1CCCCC1.
What is the InChIKey of 6-(3-chloro-4-pyridinyl)-3-cyclohexa-1,3-dien-1-yl-N-cyclohexylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is NEYAZHJZDWMBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4S/c23-18-13-24-12-11-17(18)20-21(25-16-9-5-2-6-10-16)27-19(14-28-22(27)26-20)15-7-3-1-4-8-15/h1,3,7,11-14,16,25H,2,4-6,8-10H2.
What are the key properties of 6-(3-chloro-4-pyridinyl)-3-cyclohexa-1,3-dien-1-yl-N-cyclohexylimidazo[2,1-b][1,3]thiazol-5-amine?
6-(3-chloro-4-pyridinyl)-3-cyclohexa-1,3-dien-1-yl-N-cyclohexylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 410.97 g/mol, XLogP of 6.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-pyridinyl)-3-cyclohexa-1,3-dien-1-yl-N-cyclohexylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 71016448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).