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

C14H24N4OS — CID 106332505

IUPAC4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(C)(CC)NC(=O)c1sc(NC2CCC2)nc1N
InChIInChI=1S/C14H24N4OS/c1-4-14(3,5-2)18-12(19)10-11(15)17-13(20-10)16-9-7-6-8-9/h9H,4-8,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyWJGXZNDAUONLPK-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.00
Rot. Bonds6

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

4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 106332505) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID106332505
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(C)(CC)NC(=O)c1sc(NC2CCC2)nc1N
InChIInChI=1S/C14H24N4OS/c1-4-14(3,5-2)18-12(19)10-11(15)17-13(20-10)16-9-7-6-8-9/h9H,4-8,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyWJGXZNDAUONLPK-UHFFFAOYSA-N
XLogP3.00
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(cyclobutylamino)-N-[2-(ethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116670260
ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate
CID 116674025
4-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667273
4-amino-2-(cyclobutylamino)-N-[(2-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116673037
4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116668483
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
4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 106174588
4-amino-2-(cyclobutylamino)-N-(2-cyclopropylpropyl)-1,3-thiazole-5-carboxamide
CID 116672854
4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665374
4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 106280952

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide (CID 106332505) is 4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide is CCC(C)(CC)NC(=O)c1sc(NC2CCC2)nc1N.
What is the InChIKey of 4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is WJGXZNDAUONLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-14(3,5-2)18-12(19)10-11(15)17-13(20-10)16-9-7-6-8-9/h9H,4-8,15H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106332505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).