4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide

C13H24N4O2S — CID 116671203

IUPAC4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)C(CO)NC(=O)c1sc(NC(C)(C)C)nc1N
InChIInChI=1S/C13H24N4O2S/c1-7(2)8(6-18)15-11(19)9-10(14)16-12(20-9)17-13(3,4)5/h7-8,18H,6,14H2,1-5H3,(H,15,19)(H,16,17)
InChIKeyWRRWIVVSGNHSBK-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.68
Rot. Bonds5

About 4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide

4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116671203) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID116671203
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)C(CO)NC(=O)c1sc(NC(C)(C)C)nc1N
InChIInChI=1S/C13H24N4O2S/c1-7(2)8(6-18)15-11(19)9-10(14)16-12(20-9)17-13(3,4)5/h7-8,18H,6,14H2,1-5H3,(H,15,19)(H,16,17)
InChIKeyWRRWIVVSGNHSBK-UHFFFAOYSA-N
XLogP1.68
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(2-methoxyethylamino)-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667168
4-amino-2-(tert-butylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 106174586
4-amino-2-(2-methoxyethylamino)-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116663722
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671207
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79249595
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667180
4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666516
4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 116665457
4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116670684
4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide
CID 116667442
4-amino-2-(ethylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106358518
4-amino-2-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116670268

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide (CID 116671203) is 4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide is CC(C)C(CO)NC(=O)c1sc(NC(C)(C)C)nc1N.
What is the InChIKey of 4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is WRRWIVVSGNHSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-7(2)8(6-18)15-11(19)9-10(14)16-12(20-9)17-13(3,4)5/h7-8,18H,6,14H2,1-5H3,(H,15,19)(H,16,17).
What are the key properties of 4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).