N-[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C26H24FN5OS — CID 10162436

IUPACN-[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC3CCCCC3)c2)s1)c1cccnc1
InChIInChI=1S/C26H24FN5OS/c27-20-10-8-17(9-11-20)23-24(34-26(31-23)32-25(33)19-5-4-13-28-16-19)18-12-14-29-22(15-18)30-21-6-2-1-3-7-21/h4-5,8-16,21H,1-3,6-7H2,(H,29,30)(H,31,32,33)
InChIKeyCDMAVTDVAZDUBE-UHFFFAOYSA-N
MW473.58 g/mol
LogP6.40
Rot. Bonds6

About N-[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

N-[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 10162436) has the molecular formula C26H24FN5OS and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID10162436
Molecular FormulaC26H24FN5OS
Molecular Weight473.58 g/mol
Exact Mass473.17
IUPAC NameN-[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC3CCCCC3)c2)s1)c1cccnc1
InChIInChI=1S/C26H24FN5OS/c27-20-10-8-17(9-11-20)23-24(34-26(31-23)32-25(33)19-5-4-13-28-16-19)18-12-14-29-22(15-18)30-21-6-2-1-3-7-21/h4-5,8-16,21H,1-3,6-7H2,(H,29,30)(H,31,32,33)
InChIKeyCDMAVTDVAZDUBE-UHFFFAOYSA-N
XLogP6.40
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 10162436) is N-[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC3CCCCC3)c2)s1)c1cccnc1.
What is the InChIKey of N-[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is CDMAVTDVAZDUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5OS/c27-20-10-8-17(9-11-20)23-24(34-26(31-23)32-25(33)19-5-4-13-28-16-19)18-12-14-29-22(15-18)30-21-6-2-1-3-7-21/h4-5,8-16,21H,1-3,6-7H2,(H,29,30)(H,31,32,33).
What are the key properties of N-[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
N-[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 10162436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).