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

C26H28N6OS — CID 162688279

IUPACN-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethyl)piperazine-1-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CCNCC3CC3CC3)nc2-c2cccc(C#N)c2)cc(C)n1
InChIInChI=1S/C26H28N6OS/c1-16-10-21(11-17(2)29-16)24-23(20-5-3-4-19(12-20)14-27)30-25(34-24)31-26(33)32-9-8-28-15-22(32)13-18-6-7-18/h3-5,10-12,18,22,28H,6-9,13,15H2,1-2H3,(H,30,31,33)
InChIKeyVMGOXCZUTHTHLX-UHFFFAOYSA-N
MW472.62 g/mol
LogP4.97
Rot. Bonds5

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

N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethyl)piperazine-1-carboxamide (PubChem CID 162688279) has the molecular formula C26H28N6OS and a molecular weight of 472.62 g/mol. Its IUPAC name is N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethyl)piperazine-1-carboxamide
PubChem CID162688279
Molecular FormulaC26H28N6OS
Molecular Weight472.62 g/mol
Exact Mass472.20
IUPAC NameN-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethyl)piperazine-1-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CCNCC3CC3CC3)nc2-c2cccc(C#N)c2)cc(C)n1
InChIInChI=1S/C26H28N6OS/c1-16-10-21(11-17(2)29-16)24-23(20-5-3-4-19(12-20)14-27)30-25(34-24)31-26(33)32-9-8-28-15-22(32)13-18-6-7-18/h3-5,10-12,18,22,28H,6-9,13,15H2,1-2H3,(H,30,31,33)
InChIKeyVMGOXCZUTHTHLX-UHFFFAOYSA-N
XLogP4.97
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-cyanophenyl)-5-(4-methylquinazolin-6-yl)-1,3-thiazol-2-yl]-2-(cyclopropylmethyl)piperazine-1-carboxamide
CID 169106663
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-1,4-diazabicyclo[3.2.1]octane-4-carboxamide
CID 162688234
(3S)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-(hydroxymethyl)morpholine-4-carboxamide
CID 162688071
(2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide
CID 169002941
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 162688237
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 169060197
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 162688127
(1S,4S)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 162688343
(3aS,6aR)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide
CID 162688125
(3S)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3,5-dimethylpiperazine-1-carboxamide
CID 166959531
(3R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)piperazine-1-carboxamide
CID 162688260
(3S)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-methyl-5-oxopiperazine-1-carboxamide
CID 162688220

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethyl)piperazine-1-carboxamide (CID 162688279) is N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethyl)piperazine-1-carboxamide is Cc1cc(-c2sc(NC(=O)N3CCNCC3CC3CC3)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]-2-(cyclopropylmethyl)piperazine-1-carboxamide?
The InChIKey is VMGOXCZUTHTHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6OS/c1-16-10-21(11-17(2)29-16)24-23(20-5-3-4-19(12-20)14-27)30-25(34-24)31-26(33)32-9-8-28-15-22(32)13-18-6-7-18/h3-5,10-12,18,22,28H,6-9,13,15H2,1-2H3,(H,30,31,33).
What are the key properties of N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethyl)piperazine-1-carboxamide?
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethyl)piperazine-1-carboxamide has a molecular weight of 472.62 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 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]-2-(cyclopropylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 162688279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).