(3-cyclohexyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone

C26H32N6OS2 — CID 134132776

IUPAC(3-cyclohexyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(C4CCCCC4)C5)cn3)n2)s1
InChIInChI=1S/C26H32N6OS2/c1-16-24(35-17(2)28-16)22-15-34-26(29-22)30-23-11-8-18(12-27-23)25(33)32-20-9-10-21(32)14-31(13-20)19-6-4-3-5-7-19/h8,11-12,15,19-21H,3-7,9-10,13-14H2,1-2H3,(H,27,29,30)
InChIKeyQFNLDJYUHPTIEK-UHFFFAOYSA-N
MW508.72 g/mol
LogP5.64
Rot. Bonds5

About (3-cyclohexyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone

(3-cyclohexyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone (PubChem CID 134132776) has the molecular formula C26H32N6OS2 and a molecular weight of 508.72 g/mol. Its IUPAC name is (3-cyclohexyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-cyclohexyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
PubChem CID134132776
Molecular FormulaC26H32N6OS2
Molecular Weight508.72 g/mol
Exact Mass508.21
IUPAC Name(3-cyclohexyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(C4CCCCC4)C5)cn3)n2)s1
InChIInChI=1S/C26H32N6OS2/c1-16-24(35-17(2)28-16)22-15-34-26(29-22)30-23-11-8-18(12-27-23)25(33)32-20-9-10-21(32)14-31(13-20)19-6-4-3-5-7-19/h8,11-12,15,19-21H,3-7,9-10,13-14H2,1-2H3,(H,27,29,30)
InChIKeyQFNLDJYUHPTIEK-UHFFFAOYSA-N
XLogP5.64
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.72
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3-cyclohexyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?
The IUPAC name of (3-cyclohexyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone (CID 134132776) is (3-cyclohexyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone.
What is the SMILES notation for (3-cyclohexyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?
The canonical SMILES for (3-cyclohexyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(C4CCCCC4)C5)cn3)n2)s1.
What is the InChIKey of (3-cyclohexyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?
The InChIKey is QFNLDJYUHPTIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6OS2/c1-16-24(35-17(2)28-16)22-15-34-26(29-22)30-23-11-8-18(12-27-23)25(33)32-20-9-10-21(32)14-31(13-20)19-6-4-3-5-7-19/h8,11-12,15,19-21H,3-7,9-10,13-14H2,1-2H3,(H,27,29,30).
What are the key properties of (3-cyclohexyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?
(3-cyclohexyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone has a molecular weight of 508.72 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone is sourced from PubChem (CID 134132776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).