4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide

C13H20N4O2S — CID 116673864

IUPAC4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CCC2)sc1C(=O)NC1(CO)CCC1
InChIInChI=1S/C13H20N4O2S/c14-10-9(11(19)17-13(7-18)5-2-6-13)20-12(16-10)15-8-3-1-4-8/h8,18H,1-7,14H2,(H,15,16)(H,17,19)
InChIKeyAFQVUIQUHLZLFP-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.33
Rot. Bonds5

About 4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide

4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide (PubChem CID 116673864) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide
PubChem CID116673864
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CCC2)sc1C(=O)NC1(CO)CCC1
InChIInChI=1S/C13H20N4O2S/c14-10-9(11(19)17-13(7-18)5-2-6-13)20-12(16-10)15-8-3-1-4-8/h8,18H,1-7,14H2,(H,15,16)(H,17,19)
InChIKeyAFQVUIQUHLZLFP-UHFFFAOYSA-N
XLogP1.33
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116673986
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 106174588
4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide
CID 116671757
4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116668483
4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116673185
4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106332505
4-amino-2-(cyclobutylamino)-N-[2-(ethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116670260
4-amino-2-(cyclobutylamino)-N-[(2-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116673037
4-amino-N-(2-bicyclo[2.2.1]heptanyl)-2-(cyclobutylamino)-1,3-thiazole-5-carboxamide
CID 116666925
4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-5-carboxamide
CID 116666359
ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate
CID 116674025

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide (CID 116673864) is 4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide is Nc1nc(NC2CCC2)sc1C(=O)NC1(CO)CCC1.
What is the InChIKey of 4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide?
The InChIKey is AFQVUIQUHLZLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c14-10-9(11(19)17-13(7-18)5-2-6-13)20-12(16-10)15-8-3-1-4-8/h8,18H,1-7,14H2,(H,15,16)(H,17,19).
What are the key properties of 4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 1.33, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).