N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide

C23H24N6OS — CID 162688065

IUPACN-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CCN(C)CC3)nc2-c2cccc(C#N)c2)cc(C)n1
InChIInChI=1S/C23H24N6OS/c1-15-11-19(12-16(2)25-15)21-20(18-6-4-5-17(13-18)14-24)26-22(31-21)27-23(30)29-9-7-28(3)8-10-29/h4-6,11-13H,7-10H2,1-3H3,(H,26,27,30)
InChIKeyYPFUABJNAVWNRQ-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.14
Rot. Bonds3

About N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide

N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide (PubChem CID 162688065) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide
PubChem CID162688065
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC NameN-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CCN(C)CC3)nc2-c2cccc(C#N)c2)cc(C)n1
InChIInChI=1S/C23H24N6OS/c1-15-11-19(12-16(2)25-15)21-20(18-6-4-5-17(13-18)14-24)26-22(31-21)27-23(30)29-9-7-28(3)8-10-29/h4-6,11-13H,7-10H2,1-3H3,(H,26,27,30)
InChIKeyYPFUABJNAVWNRQ-UHFFFAOYSA-N
XLogP4.14
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide (CID 162688065) is N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide is Cc1cc(-c2sc(NC(=O)N3CCN(C)CC3)nc2-c2cccc(C#N)c2)cc(C)n1.
What is the InChIKey of N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide?
The InChIKey is YPFUABJNAVWNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-15-11-19(12-16(2)25-15)21-20(18-6-4-5-17(13-18)14-24)26-22(31-21)27-23(30)29-9-7-28(3)8-10-29/h4-6,11-13H,7-10H2,1-3H3,(H,26,27,30).
What are the key properties of N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide?
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 162688065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).