4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide

C22H26N6OS — CID 58707212

IUPAC4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide
SMILESCc1ccnc(Nc2cccc(-c3cnc(N(C)C4CCC(C(N)=O)CC4)s3)n2)c1
InChIInChI=1S/C22H26N6OS/c1-14-10-11-24-20(12-14)27-19-5-3-4-17(26-19)18-13-25-22(30-18)28(2)16-8-6-15(7-9-16)21(23)29/h3-5,10-13,15-16H,6-9H2,1-2H3,(H2,23,29)(H,24,26,27)
InChIKeyFMZZXNGDMJQVHR-UHFFFAOYSA-N
MW422.56 g/mol
LogP4.13
Rot. Bonds6

About 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide

4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide (PubChem CID 58707212) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide
PubChem CID58707212
Molecular FormulaC22H26N6OS
Molecular Weight422.56 g/mol
Exact Mass422.19
IUPAC Name4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide
SMILESCc1ccnc(Nc2cccc(-c3cnc(N(C)C4CCC(C(N)=O)CC4)s3)n2)c1
InChIInChI=1S/C22H26N6OS/c1-14-10-11-24-20(12-14)27-19-5-3-4-17(26-19)18-13-25-22(30-18)28(2)16-8-6-15(7-9-16)21(23)29/h3-5,10-13,15-16H,6-9H2,1-2H3,(H2,23,29)(H,24,26,27)
InChIKeyFMZZXNGDMJQVHR-UHFFFAOYSA-N
XLogP4.13
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide (CID 58707212) is 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide is Cc1ccnc(Nc2cccc(-c3cnc(N(C)C4CCC(C(N)=O)CC4)s3)n2)c1.
What is the InChIKey of 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is FMZZXNGDMJQVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS/c1-14-10-11-24-20(12-14)27-19-5-3-4-17(26-19)18-13-25-22(30-18)28(2)16-8-6-15(7-9-16)21(23)29/h3-5,10-13,15-16H,6-9H2,1-2H3,(H2,23,29)(H,24,26,27).
What are the key properties of 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide?
4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 422.56 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 58707212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).