N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide

C21H26N6OS — CID 55794013

IUPACN-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCc1nc(CN2CCN(C(=O)NC(c3ccccc3)c3nccn3C)CC2)cs1
InChIInChI=1S/C21H26N6OS/c1-16-23-18(15-29-16)14-26-10-12-27(13-11-26)21(28)24-19(17-6-4-3-5-7-17)20-22-8-9-25(20)2/h3-9,15,19H,10-14H2,1-2H3,(H,24,28)
InChIKeyCQRXPUUWTXDWSX-UHFFFAOYSA-N
MW410.55 g/mol
LogP2.80
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide

N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide (PubChem CID 55794013) has the molecular formula C21H26N6OS and a molecular weight of 410.55 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
PubChem CID55794013
Molecular FormulaC21H26N6OS
Molecular Weight410.55 g/mol
Exact Mass410.19
IUPAC NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCc1nc(CN2CCN(C(=O)NC(c3ccccc3)c3nccn3C)CC2)cs1
InChIInChI=1S/C21H26N6OS/c1-16-23-18(15-29-16)14-26-10-12-27(13-11-26)21(28)24-19(17-6-4-3-5-7-17)20-22-8-9-25(20)2/h3-9,15,19H,10-14H2,1-2H3,(H,24,28)
InChIKeyCQRXPUUWTXDWSX-UHFFFAOYSA-N
XLogP2.80
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 38204358
N-[1-(4-chlorophenyl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55793482
2-(methylamino)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide
CID 77084721
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 25345762
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55698122
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
N-(2-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxamide
CID 154837725
N-[furan-2-yl(phenyl)methyl]-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxamide
CID 112834644
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 51308016
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119399469

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide (CID 55794013) is N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide is Cc1nc(CN2CCN(C(=O)NC(c3ccccc3)c3nccn3C)CC2)cs1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
The InChIKey is CQRXPUUWTXDWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6OS/c1-16-23-18(15-29-16)14-26-10-12-27(13-11-26)21(28)24-19(17-6-4-3-5-7-17)20-22-8-9-25(20)2/h3-9,15,19H,10-14H2,1-2H3,(H,24,28).
What are the key properties of N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide has a molecular weight of 410.55 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 55794013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).