N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C12H21N3OS — CID 113265867

IUPACN-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1sc(C)nc1C
InChIInChI=1S/C12H21N3OS/c1-5-12(13,6-2)7-14-11(16)10-8(3)15-9(4)17-10/h5-7,13H2,1-4H3,(H,14,16)
InChIKeyLWUHSHCHSHXFJH-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.01
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 113265867) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID113265867
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1sc(C)nc1C
InChIInChI=1S/C12H21N3OS/c1-5-12(13,6-2)7-14-11(16)10-8(3)15-9(4)17-10/h5-7,13H2,1-4H3,(H,14,16)
InChIKeyLWUHSHCHSHXFJH-UHFFFAOYSA-N
XLogP2.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 113265867) is N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is CCC(N)(CC)CNC(=O)c1sc(C)nc1C.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is LWUHSHCHSHXFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-5-12(13,6-2)7-14-11(16)10-8(3)15-9(4)17-10/h5-7,13H2,1-4H3,(H,14,16).
What are the key properties of N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 255.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 113265867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).