2-methylpropane;4-[[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylic acid

C24H31N5O3S — CID 142892802

IUPAC2-methylpropane;4-[[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylic acid
SMILESCC(C)C.O=C(O)N1CCC(COc2cc(Nc3ncc(-c4ccccc4)s3)ncn2)CC1
InChIInChI=1S/C20H21N5O3S.C4H10/c26-20(27)25-8-6-14(7-9-25)12-28-18-10-17(22-13-23-18)24-19-21-11-16(29-19)15-4-2-1-3-5-15;1-4(2)3/h1-5,10-11,13-14H,6-9,12H2,(H,26,27)(H,21,22,23,24);4H,1-3H3
InChIKeyBXGIUVSVVIAEME-UHFFFAOYSA-N
MW469.61 g/mol
LogP5.77
Rot. Bonds6

About 2-methylpropane;4-[[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylic acid

2-methylpropane;4-[[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylic acid (PubChem CID 142892802) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is 2-methylpropane;4-[[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-methylpropane;4-[[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylic acid
PubChem CID142892802
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC Name2-methylpropane;4-[[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylic acid
SMILESCC(C)C.O=C(O)N1CCC(COc2cc(Nc3ncc(-c4ccccc4)s3)ncn2)CC1
InChIInChI=1S/C20H21N5O3S.C4H10/c26-20(27)25-8-6-14(7-9-25)12-28-18-10-17(22-13-23-18)24-19-21-11-16(29-19)15-4-2-1-3-5-15;1-4(2)3/h1-5,10-11,13-14H,6-9,12H2,(H,26,27)(H,21,22,23,24);4H,1-3H3
InChIKeyBXGIUVSVVIAEME-UHFFFAOYSA-N
XLogP5.77
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.61
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 137355957
Propan-2-yl 4-[6-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57571091
2-Tert-butyl-3-fluoro-4-[2-[3-methyl-5-[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]anilino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 67262201
Tert-butyl 3-fluoro-4-[2-[3-methyl-5-[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]anilino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 67431247
4-[[7-[2-Fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylic acid
CID 123295043
N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 137355958
4-[6-[[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 153797236
[2-[(3S,4R)-4-fluoro-3-[methyl-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]amino]piperidin-1-yl]pyrimidin-4-yl] N-(1-methylpiperidin-4-yl)carbamate
CID 177918977
[2-[(3S,4R)-4-fluoro-3-[methyl-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]amino]piperidin-1-yl]pyrimidin-4-yl] N-(1-methylpiperidin-4-yl)carbamate
CID 177919061
[2-[(3S,4R)-4-fluoro-3-[[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl] N-(1-methylpiperidin-4-yl)carbamate
CID 177919201
N-(2-methyl-6-piperidin-4-yloxypyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine
CID 10021889
5-phenyl-N-[6-(piperidin-4-ylmethoxy)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 10316904

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;4-[[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylic acid?
The IUPAC name of 2-methylpropane;4-[[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylic acid (CID 142892802) is 2-methylpropane;4-[[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-methylpropane;4-[[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-methylpropane;4-[[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylic acid is CC(C)C.O=C(O)N1CCC(COc2cc(Nc3ncc(-c4ccccc4)s3)ncn2)CC1.
What is the InChIKey of 2-methylpropane;4-[[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylic acid?
The InChIKey is BXGIUVSVVIAEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S.C4H10/c26-20(27)25-8-6-14(7-9-25)12-28-18-10-17(22-13-23-18)24-19-21-11-16(29-19)15-4-2-1-3-5-15;1-4(2)3/h1-5,10-11,13-14H,6-9,12H2,(H,26,27)(H,21,22,23,24);4H,1-3H3.
What are the key properties of 2-methylpropane;4-[[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylic acid?
2-methylpropane;4-[[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylic acid has a molecular weight of 469.61 g/mol, XLogP of 5.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;4-[[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 142892802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).