N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

C24H20N8O2S — CID 3729178

IUPACN-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESN#Cc1nc(NC(=O)c2csc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)n2)[nH]c1C#N
InChIInChI=1S/C24H20N8O2S/c25-10-18-19(11-26)30-24(29-18)31-22(34)20-13-35-23(28-20)14-5-7-32(8-6-14)21(33)9-15-12-27-17-4-2-1-3-16(15)17/h1-4,12-14,27H,5-9H2,(H2,29,30,31,34)
InChIKeyKBBJDVAXUJQEJU-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.29
Rot. Bonds5

About N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 3729178) has the molecular formula C24H20N8O2S and a molecular weight of 484.55 g/mol. Its IUPAC name is N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID3729178
Molecular FormulaC24H20N8O2S
Molecular Weight484.55 g/mol
Exact Mass484.14
IUPAC NameN-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESN#Cc1nc(NC(=O)c2csc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)n2)[nH]c1C#N
InChIInChI=1S/C24H20N8O2S/c25-10-18-19(11-26)30-24(29-18)31-22(34)20-13-35-23(28-20)14-5-7-32(8-6-14)21(33)9-15-12-27-17-4-2-1-3-16(15)17/h1-4,12-14,27H,5-9H2,(H2,29,30,31,34)
InChIKeyKBBJDVAXUJQEJU-UHFFFAOYSA-N
XLogP3.29
TPSA154.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23990974
N-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3734688
2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 3827500
N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3298570
2-(1H-indol-3-yl)-1-[4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 3338138
1-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 3573444
1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 23113298
N-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 3869986
N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113008816
1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 11570732
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-(5-nitro-1H-indazol-3-yl)-1,3-thiazole-4-carboxamide
CID 4997997
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 3682252

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 3729178) is N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is N#Cc1nc(NC(=O)c2csc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)n2)[nH]c1C#N.
What is the InChIKey of N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is KBBJDVAXUJQEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O2S/c25-10-18-19(11-26)30-24(29-18)31-22(34)20-13-35-23(28-20)14-5-7-32(8-6-14)21(33)9-15-12-27-17-4-2-1-3-16(15)17/h1-4,12-14,27H,5-9H2,(H2,29,30,31,34).
What are the key properties of N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3729178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).