N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]-2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxamide

C15H27N3O2S — CID 100644918

IUPACN-[(2R)-1-amino-2,4-dimethylpentan-2-yl]-2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCO[C@H](C)c1nc(C)c(C(=O)N[C@@](C)(CN)CC(C)C)s1
InChIInChI=1S/C15H27N3O2S/c1-9(2)7-15(5,8-16)18-13(19)12-10(3)17-14(21-12)11(4)20-6/h9,11H,7-8,16H2,1-6H3,(H,18,19)/t11-,15-/m1/s1
InChIKeyRTRLOTGTDMSRTF-IAQYHMDHSA-N
MW313.47 g/mol
LogP2.65
Rot. Bonds7

About N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]-2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]-2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 100644918) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]-2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-2,4-dimethylpentan-2-yl]-2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID100644918
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-[(2R)-1-amino-2,4-dimethylpentan-2-yl]-2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCO[C@H](C)c1nc(C)c(C(=O)N[C@@](C)(CN)CC(C)C)s1
InChIInChI=1S/C15H27N3O2S/c1-9(2)7-15(5,8-16)18-13(19)12-10(3)17-14(21-12)11(4)20-6/h9,11H,7-8,16H2,1-6H3,(H,18,19)/t11-,15-/m1/s1
InChIKeyRTRLOTGTDMSRTF-IAQYHMDHSA-N
XLogP2.65
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]-2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]-2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 100644918) is N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]-2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]-2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]-2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxamide is CO[C@H](C)c1nc(C)c(C(=O)N[C@@](C)(CN)CC(C)C)s1.
What is the InChIKey of N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]-2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RTRLOTGTDMSRTF-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-9(2)7-15(5,8-16)18-13(19)12-10(3)17-14(21-12)11(4)20-6/h9,11H,7-8,16H2,1-6H3,(H,18,19)/t11-,15-/m1/s1.
What are the key properties of N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]-2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]-2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 313.47 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]-2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 100644918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).