4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

C13H23N5O2S — CID 116673207

IUPAC4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1sc(N2CCNCC2)nc1N)C(C)(C)CO
InChIInChI=1S/C13H23N5O2S/c1-13(2,8-19)17(3)11(20)9-10(14)16-12(21-9)18-6-4-15-5-7-18/h15,19H,4-8,14H2,1-3H3
InChIKeyJLBOWRHRWMIHMH-UHFFFAOYSA-N
MW313.43 g/mol
LogP-0.02
Rot. Bonds4

About 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116673207) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116673207
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1sc(N2CCNCC2)nc1N)C(C)(C)CO
InChIInChI=1S/C13H23N5O2S/c1-13(2,8-19)17(3)11(20)9-10(14)16-12(21-9)18-6-4-15-5-7-18/h15,19H,4-8,14H2,1-3H3
InChIKeyJLBOWRHRWMIHMH-UHFFFAOYSA-N
XLogP-0.02
TPSA94.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116666434
4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116668857
4-amino-2-piperazin-1-yl-N-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide
CID 116669529
4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673968
4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116672779
4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116671944
N-(2-acetamidoethyl)-4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116670168
(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 116668787
4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116671747
4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide
CID 116670151
4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673985
4-amino-2-piperazin-1-yl-N-(thiolan-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 107299087

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (CID 116673207) is 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is CN(C(=O)c1sc(N2CCNCC2)nc1N)C(C)(C)CO.
What is the InChIKey of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JLBOWRHRWMIHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-13(2,8-19)17(3)11(20)9-10(14)16-12(21-9)18-6-4-15-5-7-18/h15,19H,4-8,14H2,1-3H3.
What are the key properties of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 313.43 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).