4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide

C13H24N4O2S — CID 116671207

IUPAC4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)NC(CO)C(C)C)s1
InChIInChI=1S/C13H24N4O2S/c1-5-6-17(4)13-16-11(14)10(20-13)12(19)15-9(7-18)8(2)3/h8-9,18H,5-7,14H2,1-4H3,(H,15,19)
InChIKeyGZXKEAPEPNJIQV-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.32
Rot. Bonds7

About 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide

4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 116671207) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID116671207
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)NC(CO)C(C)C)s1
InChIInChI=1S/C13H24N4O2S/c1-5-6-17(4)13-16-11(14)10(20-13)12(19)15-9(7-18)8(2)3/h8-9,18H,5-7,14H2,1-4H3,(H,15,19)
InChIKeyGZXKEAPEPNJIQV-UHFFFAOYSA-N
XLogP1.32
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116663725
4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116673603
4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116672485
4-amino-N-(5-hydroxy-4-methylpentyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 106163760
4-amino-2-(dimethylamino)-N-(1-hydroxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106358502
4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116666945
4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide
CID 116663869
4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671824
4-amino-N-(2-methyl-3-methylsulfanylpropyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116666557
4-amino-N-(2-cyclopropylpropyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116672850
4-amino-N-(3-methylbut-2-enyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 106199031
4-amino-2-[methyl(propyl)amino]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116669026

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide (CID 116671207) is 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide is CCCN(C)c1nc(N)c(C(=O)NC(CO)C(C)C)s1.
What is the InChIKey of 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is GZXKEAPEPNJIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-5-6-17(4)13-16-11(14)10(20-13)12(19)15-9(7-18)8(2)3/h8-9,18H,5-7,14H2,1-4H3,(H,15,19).
What are the key properties of 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).