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

C12H21N5O2S — CID 116673603

IUPAC4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)NC(C)CC(N)=O)s1
InChIInChI=1S/C12H21N5O2S/c1-4-5-17(3)12-16-10(14)9(20-12)11(19)15-7(2)6-8(13)18/h7H,4-6,14H2,1-3H3,(H2,13,18)(H,15,19)
InChIKeyFNIAQMLKQJGUOR-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.57
Rot. Bonds7

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

4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 116673603) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID116673603
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)NC(C)CC(N)=O)s1
InChIInChI=1S/C12H21N5O2S/c1-4-5-17(3)12-16-10(14)9(20-12)11(19)15-7(2)6-8(13)18/h7H,4-6,14H2,1-3H3,(H2,13,18)(H,15,19)
InChIKeyFNIAQMLKQJGUOR-UHFFFAOYSA-N
XLogP0.57
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671207
4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide
CID 116663662
4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116666945
4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116669734
4-amino-N-(2-methyl-3-methylsulfanylpropyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116666557
4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671824
4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide
CID 116672954
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
4-amino-N-(5-hydroxy-4-methylpentyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 106163760
4-amino-2-(dimethylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667275

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide (CID 116673603) is 4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide is CCCN(C)c1nc(N)c(C(=O)NC(C)CC(N)=O)s1.
What is the InChIKey of 4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is FNIAQMLKQJGUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-4-5-17(3)12-16-10(14)9(20-12)11(19)15-7(2)6-8(13)18/h7H,4-6,14H2,1-3H3,(H2,13,18)(H,15,19).
What are the key properties of 4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).