4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide

C14H22N4O2S — CID 114633060

IUPAC4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1sc(NC2CCC2)nc1N
InChIInChI=1S/C14H22N4O2S/c1-14(2)8(6-9(14)19)17-12(20)10-11(15)18-13(21-10)16-7-4-3-5-7/h7-9,19H,3-6,15H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyJWVINDSJJMKAJI-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.58
Rot. Bonds4

About 4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide

4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide (PubChem CID 114633060) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide
PubChem CID114633060
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1sc(NC2CCC2)nc1N
InChIInChI=1S/C14H22N4O2S/c1-14(2)8(6-9(14)19)17-12(20)10-11(15)18-13(21-10)16-7-4-3-5-7/h7-9,19H,3-6,15H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyJWVINDSJJMKAJI-UHFFFAOYSA-N
XLogP1.58
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.58
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-N-(2-bicyclo[2.2.1]heptanyl)-2-(cyclobutylamino)-1,3-thiazole-5-carboxamide
CID 116666925
4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116673291
4-amino-2-(cyclopropylamino)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-5-carboxamide
CID 116667070
4-amino-2-(cyclobutylamino)-N-[(2-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116673037
4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide
CID 116667333
4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide
CID 116673864
4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106332505
4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669844
4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116668483
4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-5-carboxamide
CID 116666359
4-amino-2-(cyclobutylamino)-N-[2-(ethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide (CID 114633060) is 4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide is CC1(C)C(O)CC1NC(=O)c1sc(NC2CCC2)nc1N.
What is the InChIKey of 4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JWVINDSJJMKAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-14(2)8(6-9(14)19)17-12(20)10-11(15)18-13(21-10)16-7-4-3-5-7/h7-9,19H,3-6,15H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of 4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.58, 4 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-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 114633060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).