N-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide

C25H33N5OS — CID 42803352

IUPACN-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide
SMILESCc1ccc(-c2nc3sc(C)cn3c2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C25H33N5OS/c1-18-8-10-20(11-9-18)23-22(30-16-19(2)32-25(30)27-23)17-28-12-14-29(15-13-28)24(31)26-21-6-4-3-5-7-21/h8-11,16,21H,3-7,12-15,17H2,1-2H3,(H,26,31)
InChIKeyCJKQMGBLMVXDKZ-UHFFFAOYSA-N
MW451.64 g/mol
LogP4.84
Rot. Bonds4

About N-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide

N-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide (PubChem CID 42803352) has the molecular formula C25H33N5OS and a molecular weight of 451.64 g/mol. Its IUPAC name is N-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide
PubChem CID42803352
Molecular FormulaC25H33N5OS
Molecular Weight451.64 g/mol
Exact Mass451.24
IUPAC NameN-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide
SMILESCc1ccc(-c2nc3sc(C)cn3c2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C25H33N5OS/c1-18-8-10-20(11-9-18)23-22(30-16-19(2)32-25(30)27-23)17-28-12-14-29(15-13-28)24(31)26-21-6-4-3-5-7-21/h8-11,16,21H,3-7,12-15,17H2,1-2H3,(H,26,31)
InChIKeyCJKQMGBLMVXDKZ-UHFFFAOYSA-N
XLogP4.84
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.64
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide
CID 42811293
(2-chlorophenyl)-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 83285872
N-cyclopentyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 38204358
(2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 42811263
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 30464073
N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide
CID 56514845
N-cyclohexyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carboxamide
CID 110395570
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42811623
[4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
CID 83288509
4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide
CID 33409511
N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107381

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide (CID 42803352) is N-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide is Cc1ccc(-c2nc3sc(C)cn3c2CN2CCN(C(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide?
The InChIKey is CJKQMGBLMVXDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5OS/c1-18-8-10-20(11-9-18)23-22(30-16-19(2)32-25(30)27-23)17-28-12-14-29(15-13-28)24(31)26-21-6-4-3-5-7-21/h8-11,16,21H,3-7,12-15,17H2,1-2H3,(H,26,31).
What are the key properties of N-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide has a molecular weight of 451.64 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 42803352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).