5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide

C28H34Cl2N6O2S2 — CID 23030601

IUPAC5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(O)CC2)c(Cl)c1
InChIInChI=1S/C28H34Cl2N6O2S2/c29-19-15-23(39-17-19)24-27(36-12-10-34(11-13-36)20-4-2-1-3-5-20)40-28(32-24)33-26(38)18-14-22(30)25(31-16-18)35-8-6-21(37)7-9-35/h14-17,20-21,37H,1-13H2,(H,32,33,38)
InChIKeyJLDDJJNSCVWAKW-UHFFFAOYSA-N
MW621.66 g/mol
LogP6.24
Rot. Bonds6

About 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide

5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 23030601) has the molecular formula C28H34Cl2N6O2S2 and a molecular weight of 621.66 g/mol. Its IUPAC name is 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
PubChem CID23030601
Molecular FormulaC28H34Cl2N6O2S2
Molecular Weight621.66 g/mol
Exact Mass620.16
IUPAC Name5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(O)CC2)c(Cl)c1
InChIInChI=1S/C28H34Cl2N6O2S2/c29-19-15-23(39-17-19)24-27(36-12-10-34(11-13-36)20-4-2-1-3-5-20)40-28(32-24)33-26(38)18-14-22(30)25(31-16-18)35-8-6-21(37)7-9-35/h14-17,20-21,37H,1-13H2,(H,32,33,38)
InChIKeyJLDDJJNSCVWAKW-UHFFFAOYSA-N
XLogP6.24
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.66
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide (CID 23030601) is 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide is O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(O)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is JLDDJJNSCVWAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34Cl2N6O2S2/c29-19-15-23(39-17-19)24-27(36-12-10-34(11-13-36)20-4-2-1-3-5-20)40-28(32-24)33-26(38)18-14-22(30)25(31-16-18)35-8-6-21(37)7-9-35/h14-17,20-21,37H,1-13H2,(H,32,33,38).
What are the key properties of 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide?
5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 621.66 g/mol, XLogP of 6.24, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 23030601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).