4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

C13H21N5O2S — CID 116668889

IUPAC4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCNCC2)sc1C(=O)NCC1CCCO1
InChIInChI=1S/C13H21N5O2S/c14-11-10(12(19)16-8-9-2-1-7-20-9)21-13(17-11)18-5-3-15-4-6-18/h9,15H,1-8,14H2,(H,16,19)
InChIKeyNKEXUFDUFLSWSX-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.04
Rot. Bonds4

About 4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116668889) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116668889
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCNCC2)sc1C(=O)NCC1CCCO1
InChIInChI=1S/C13H21N5O2S/c14-11-10(12(19)16-8-9-2-1-7-20-9)21-13(17-11)18-5-3-15-4-6-18/h9,15H,1-8,14H2,(H,16,19)
InChIKeyNKEXUFDUFLSWSX-UHFFFAOYSA-N
XLogP0.04
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-piperazin-1-yl-N-(thiolan-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 107299087
N-(2-acetamidoethyl)-4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116670168
4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668901
2-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 2144787
4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116671747
4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668887
4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116668857
4-amino-N-[(2-methylcyclopropyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116673035
4-amino-2-piperazin-1-yl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 106434169
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide
CID 116669705
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (CID 116668889) is 4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is Nc1nc(N2CCNCC2)sc1C(=O)NCC1CCCO1.
What is the InChIKey of 4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is NKEXUFDUFLSWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c14-11-10(12(19)16-8-9-2-1-7-20-9)21-13(17-11)18-5-3-15-4-6-18/h9,15H,1-8,14H2,(H,16,19).
What are the key properties of 4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).