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

C13H23N5OS2 — CID 116673565

IUPAC4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESCCSCC(C)NC(=O)c1sc(N2CCNCC2)nc1N
InChIInChI=1S/C13H23N5OS2/c1-3-20-8-9(2)16-12(19)10-11(14)17-13(21-10)18-6-4-15-5-7-18/h9,15H,3-8,14H2,1-2H3,(H,16,19)
InChIKeyPCVRIBNVOMRALK-UHFFFAOYSA-N
MW329.50 g/mol
LogP1.01
Rot. Bonds6

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

4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116673565) has the molecular formula C13H23N5OS2 and a molecular weight of 329.50 g/mol. Its IUPAC name is 4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116673565
Molecular FormulaC13H23N5OS2
Molecular Weight329.50 g/mol
Exact Mass329.13
IUPAC Name4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESCCSCC(C)NC(=O)c1sc(N2CCNCC2)nc1N
InChIInChI=1S/C13H23N5OS2/c1-3-20-8-9(2)16-12(19)10-11(14)17-13(21-10)18-6-4-15-5-7-18/h9,15H,3-8,14H2,1-2H3,(H,16,19)
InChIKeyPCVRIBNVOMRALK-UHFFFAOYSA-N
XLogP1.01
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.50
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116668009
4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667638
4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116672779
N-(2-acetamidoethyl)-4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116670168
4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116664707
4-amino-2-piperazin-1-yl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 106434169
4-amino-N-(1-methoxypropan-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 116668074
4-amino-N-(1-cyclopropylpropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116666580
4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116668857
4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116672605
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-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide
CID 116670151

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (CID 116673565) is 4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is CCSCC(C)NC(=O)c1sc(N2CCNCC2)nc1N.
What is the InChIKey of 4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is PCVRIBNVOMRALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS2/c1-3-20-8-9(2)16-12(19)10-11(14)17-13(21-10)18-6-4-15-5-7-18/h9,15H,3-8,14H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 329.50 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).