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

C14H25N5OS — CID 116672779

IUPAC4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESCCCC(C)(C)NC(=O)c1sc(N2CCNCC2)nc1N
InChIInChI=1S/C14H25N5OS/c1-4-5-14(2,3)18-12(20)10-11(15)17-13(21-10)19-8-6-16-7-9-19/h16H,4-9,15H2,1-3H3,(H,18,20)
InChIKeyIDKGFZMXZYEKDH-UHFFFAOYSA-N
MW311.46 g/mol
LogP1.44
Rot. Bonds5

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

4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116672779) has the molecular formula C14H25N5OS and a molecular weight of 311.46 g/mol. Its IUPAC name is 4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116672779
Molecular FormulaC14H25N5OS
Molecular Weight311.46 g/mol
Exact Mass311.18
IUPAC Name4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESCCCC(C)(C)NC(=O)c1sc(N2CCNCC2)nc1N
InChIInChI=1S/C14H25N5OS/c1-4-5-14(2,3)18-12(20)10-11(15)17-13(21-10)19-8-6-16-7-9-19/h16H,4-9,15H2,1-3H3,(H,18,20)
InChIKeyIDKGFZMXZYEKDH-UHFFFAOYSA-N
XLogP1.44
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetamidoethyl)-4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116670168
4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116668857
4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673565
4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673985
4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide
CID 116670151
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673207
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-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide
CID 116669529
4-amino-2-piperazin-1-yl-N-(thiolan-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 107299087
4-amino-N-(2-methylbut-3-yn-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 116666626
4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116668889
4-amino-2-piperazin-1-yl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 106434169

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (CID 116672779) is 4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is CCCC(C)(C)NC(=O)c1sc(N2CCNCC2)nc1N.
What is the InChIKey of 4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is IDKGFZMXZYEKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-4-5-14(2,3)18-12(20)10-11(15)17-13(21-10)19-8-6-16-7-9-19/h16H,4-9,15H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 311.46 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).