N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-4-cyanophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide

C21H25N7O3S — CID 67270071

IUPACN-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-4-cyanophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2csc(N3CCOCC3)n2)c(N2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C21H25N7O3S/c22-12-15-1-2-16(18(11-15)27-5-3-26(4-6-27)13-19(23)29)24-20(30)17-14-32-21(25-17)28-7-9-31-10-8-28/h1-2,11,14H,3-10,13H2,(H2,23,29)(H,24,30)
InChIKeyZNRLTGAYXMKZQK-UHFFFAOYSA-N
MW455.54 g/mol
LogP0.71
Rot. Bonds6

About N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-4-cyanophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide

N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-4-cyanophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 67270071) has the molecular formula C21H25N7O3S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-4-cyanophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-4-cyanophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID67270071
Molecular FormulaC21H25N7O3S
Molecular Weight455.54 g/mol
Exact Mass455.17
IUPAC NameN-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-4-cyanophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2csc(N3CCOCC3)n2)c(N2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C21H25N7O3S/c22-12-15-1-2-16(18(11-15)27-5-3-26(4-6-27)13-19(23)29)24-20(30)17-14-32-21(25-17)28-7-9-31-10-8-28/h1-2,11,14H,3-10,13H2,(H2,23,29)(H,24,30)
InChIKeyZNRLTGAYXMKZQK-UHFFFAOYSA-N
XLogP0.71
TPSA127.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-[4-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]piperazin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 67271184
N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-2-bromo-1,3-thiazole-4-carboxamide
CID 67269983
2-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-4-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 69016757
5-[(3,3-dimethylmorpholin-4-yl)methyl]-2-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 70955481
N-(4-ethynyl-2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 164678994
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
2-bromo-N-[4-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-1,3-thiazole-4-carboxamide
CID 137370782
4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109222404
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
N-[2-[2-hydroxy-4-(hydroxymethyl)piperazin-1-yl]-3-pyridinyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 140543037
methyl 4-cyano-2-morpholin-4-ylbenzoate
CID 171037112
N-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(oxan-4-ylcarbamoyl)phenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 70955434

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-4-cyanophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-4-cyanophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide (CID 67270071) is N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-4-cyanophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-4-cyanophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-4-cyanophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide is N#Cc1ccc(NC(=O)c2csc(N3CCOCC3)n2)c(N2CCN(CC(N)=O)CC2)c1.
What is the InChIKey of N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-4-cyanophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ZNRLTGAYXMKZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3S/c22-12-15-1-2-16(18(11-15)27-5-3-26(4-6-27)13-19(23)29)24-20(30)17-14-32-21(25-17)28-7-9-31-10-8-28/h1-2,11,14H,3-10,13H2,(H2,23,29)(H,24,30).
What are the key properties of N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-4-cyanophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-4-cyanophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-4-cyanophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67270071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).