[1-[2-[[2-(2,4-dimethoxypyrimidin-5-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamic acid

C22H24N6O5S — CID 152542264

IUPAC[1-[2-[[2-(2,4-dimethoxypyrimidin-5-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamic acid
SMILESCOc1ncc(-c2nc(C(=O)Nc3ccccc3N3CCC(NC(=O)O)CC3)cs2)c(OC)n1
InChIInChI=1S/C22H24N6O5S/c1-32-19-14(11-23-21(27-19)33-2)20-26-16(12-34-20)18(29)25-15-5-3-4-6-17(15)28-9-7-13(8-10-28)24-22(30)31/h3-6,11-13,24H,7-10H2,1-2H3,(H,25,29)(H,30,31)
InChIKeyYLTZUIFEPSFQLE-UHFFFAOYSA-N
MW484.54 g/mol
LogP3.11
Rot. Bonds7

About [1-[2-[[2-(2,4-dimethoxypyrimidin-5-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamic acid

[1-[2-[[2-(2,4-dimethoxypyrimidin-5-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamic acid (PubChem CID 152542264) has the molecular formula C22H24N6O5S and a molecular weight of 484.54 g/mol. Its IUPAC name is [1-[2-[[2-(2,4-dimethoxypyrimidin-5-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-[[2-(2,4-dimethoxypyrimidin-5-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamic acid
PubChem CID152542264
Molecular FormulaC22H24N6O5S
Molecular Weight484.54 g/mol
Exact Mass484.15
IUPAC Name[1-[2-[[2-(2,4-dimethoxypyrimidin-5-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamic acid
SMILESCOc1ncc(-c2nc(C(=O)Nc3ccccc3N3CCC(NC(=O)O)CC3)cs2)c(OC)n1
InChIInChI=1S/C22H24N6O5S/c1-32-19-14(11-23-21(27-19)33-2)20-26-16(12-34-20)18(29)25-15-5-3-4-6-17(15)28-9-7-13(8-10-28)24-22(30)31/h3-6,11-13,24H,7-10H2,1-2H3,(H,25,29)(H,30,31)
InChIKeyYLTZUIFEPSFQLE-UHFFFAOYSA-N
XLogP3.11
TPSA138.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 71142345
N-[2-[4-(2-hydroxy-2-methylhydrazinyl)azocan-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 126662024
2-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71142244
2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 87332484
N-[2-(3-hydroxypyrrolidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 78007893
N-[2-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 126661530
N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71142454
tert-butyl N-[(3S)-1-[3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate
CID 58182165
2-[4-(hydroxymethyl)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71142445
methyl 3-[[4-[[2-(4-aminopiperidin-1-yl)phenyl]carbamoyl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate
CID 24965618
2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 56503203
5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684789

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[2-(2,4-dimethoxypyrimidin-5-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[2-[[2-(2,4-dimethoxypyrimidin-5-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamic acid (CID 152542264) is [1-[2-[[2-(2,4-dimethoxypyrimidin-5-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-[[2-(2,4-dimethoxypyrimidin-5-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[2-[[2-(2,4-dimethoxypyrimidin-5-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamic acid is COc1ncc(-c2nc(C(=O)Nc3ccccc3N3CCC(NC(=O)O)CC3)cs2)c(OC)n1.
What is the InChIKey of [1-[2-[[2-(2,4-dimethoxypyrimidin-5-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamic acid?
The InChIKey is YLTZUIFEPSFQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O5S/c1-32-19-14(11-23-21(27-19)33-2)20-26-16(12-34-20)18(29)25-15-5-3-4-6-17(15)28-9-7-13(8-10-28)24-22(30)31/h3-6,11-13,24H,7-10H2,1-2H3,(H,25,29)(H,30,31).
What are the key properties of [1-[2-[[2-(2,4-dimethoxypyrimidin-5-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamic acid?
[1-[2-[[2-(2,4-dimethoxypyrimidin-5-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamic acid has a molecular weight of 484.54 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[2-(2,4-dimethoxypyrimidin-5-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 152542264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).