4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide

C11H16F2N4O2S — CID 106174588

IUPAC4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CCC2)sc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H16F2N4O2S/c12-11(13,5-18)4-15-9(19)7-8(14)17-10(20-7)16-6-2-1-3-6/h6,18H,1-5,14H2,(H,15,19)(H,16,17)
InChIKeyDGYCHZWYNUFGJQ-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.05
Rot. Bonds6

About 4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide

4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide (PubChem CID 106174588) has the molecular formula C11H16F2N4O2S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
PubChem CID106174588
Molecular FormulaC11H16F2N4O2S
Molecular Weight306.34 g/mol
Exact Mass306.10
IUPAC Name4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CCC2)sc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H16F2N4O2S/c12-11(13,5-18)4-15-9(19)7-8(14)17-10(20-7)16-6-2-1-3-6/h6,18H,1-5,14H2,(H,15,19)(H,16,17)
InChIKeyDGYCHZWYNUFGJQ-UHFFFAOYSA-N
XLogP1.05
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(tert-butylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 106174586
4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 106280952
4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide
CID 116673864
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-2-(cyclobutylamino)-N-(2-cyclopropylpropyl)-1,3-thiazole-5-carboxamide
CID 116672854
4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106332505
4-amino-2-(cyclopropylamino)-N-(5-hydroxypentyl)-1,3-thiazole-5-carboxamide
CID 107324438
4-amino-N-[2-(carbamoylamino)ethyl]-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116672311
4-amino-2-(cyclobutylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665514
4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116673185

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide (CID 106174588) is 4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide is Nc1nc(NC2CCC2)sc1C(=O)NCC(F)(F)CO.
What is the InChIKey of 4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DGYCHZWYNUFGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O2S/c12-11(13,5-18)4-15-9(19)7-8(14)17-10(20-7)16-6-2-1-3-6/h6,18H,1-5,14H2,(H,15,19)(H,16,17).
What are the key properties of 4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 1.05, 6 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-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106174588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).