N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-tert-butyl-1,3-thiazole-5-carboxamide

C12H19N3O2S — CID 47896370

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-tert-butyl-1,3-thiazole-5-carboxamide
SMILESCC(C)(NC(=O)c1cnc(C(C)(C)C)s1)C(N)=O
InChIInChI=1S/C12H19N3O2S/c1-11(2,3)10-14-6-7(18-10)8(16)15-12(4,5)9(13)17/h6H,1-5H3,(H2,13,17)(H,15,16)
InChIKeyLPYGDVDFLGIBKS-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.43
Rot. Bonds3

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-tert-butyl-1,3-thiazole-5-carboxamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-tert-butyl-1,3-thiazole-5-carboxamide (PubChem CID 47896370) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-tert-butyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-tert-butyl-1,3-thiazole-5-carboxamide
PubChem CID47896370
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-tert-butyl-1,3-thiazole-5-carboxamide
SMILESCC(C)(NC(=O)c1cnc(C(C)(C)C)s1)C(N)=O
InChIInChI=1S/C12H19N3O2S/c1-11(2,3)10-14-6-7(18-10)8(16)15-12(4,5)9(13)17/h6H,1-5H3,(H2,13,17)(H,15,16)
InChIKeyLPYGDVDFLGIBKS-UHFFFAOYSA-N
XLogP1.43
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-tert-butyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-tert-butyl-1,3-thiazole-5-carboxamide (CID 47896370) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-tert-butyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-tert-butyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-tert-butyl-1,3-thiazole-5-carboxamide is CC(C)(NC(=O)c1cnc(C(C)(C)C)s1)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-tert-butyl-1,3-thiazole-5-carboxamide?
The InChIKey is LPYGDVDFLGIBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-11(2,3)10-14-6-7(18-10)8(16)15-12(4,5)9(13)17/h6H,1-5H3,(H2,13,17)(H,15,16).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-tert-butyl-1,3-thiazole-5-carboxamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-tert-butyl-1,3-thiazole-5-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-tert-butyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47896370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).