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

C11H17N3O2S — CID 86786266

IUPACN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)N[C@H](C(N)=O)C(C)(C)C
InChIInChI=1S/C11H17N3O2S/c1-6-7(5-17-14-6)10(16)13-8(9(12)15)11(2,3)4/h5,8H,1-4H3,(H2,12,15)(H,13,16)/t8-/m1/s1
InChIKeyQAUIKCJWMXCCPV-MRVPVSSYSA-N
MW255.34 g/mol
LogP1.08
Rot. Bonds3

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

N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 86786266) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID86786266
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)N[C@H](C(N)=O)C(C)(C)C
InChIInChI=1S/C11H17N3O2S/c1-6-7(5-17-14-6)10(16)13-8(9(12)15)11(2,3)4/h5,8H,1-4H3,(H2,12,15)(H,13,16)/t8-/m1/s1
InChIKeyQAUIKCJWMXCCPV-MRVPVSSYSA-N
XLogP1.08
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide (CID 86786266) is N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)N[C@H](C(N)=O)C(C)(C)C.
What is the InChIKey of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is QAUIKCJWMXCCPV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-6-7(5-17-14-6)10(16)13-8(9(12)15)11(2,3)4/h5,8H,1-4H3,(H2,12,15)(H,13,16)/t8-/m1/s1.
What are the key properties of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide?
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 86786266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).