4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide

C12H21N3OS — CID 119878910

IUPAC4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCC(C)(C)c1csc(CNC(=O)CCCN)n1
InChIInChI=1S/C12H21N3OS/c1-12(2,3)9-8-17-11(15-9)7-14-10(16)5-4-6-13/h8H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyVQRDRBACXFZVBO-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.80
Rot. Bonds5

About 4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide

4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide (PubChem CID 119878910) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide
PubChem CID119878910
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCC(C)(C)c1csc(CNC(=O)CCCN)n1
InChIInChI=1S/C12H21N3OS/c1-12(2,3)9-8-17-11(15-9)7-14-10(16)5-4-6-13/h8H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyVQRDRBACXFZVBO-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119878856
7-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]heptanamide;dihydrochloride
CID 119839230
N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 79816956
4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116550750
7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide
CID 119897286
3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanamide
CID 118766173
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 111104399
3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 122572146
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 118796187
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 68553109
3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide
CID 119878887

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide (CID 119878910) is 4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide is CC(C)(C)c1csc(CNC(=O)CCCN)n1.
What is the InChIKey of 4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide?
The InChIKey is VQRDRBACXFZVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-12(2,3)9-8-17-11(15-9)7-14-10(16)5-4-6-13/h8H,4-7,13H2,1-3H3,(H,14,16).
What are the key properties of 4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide?
4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide has a molecular weight of 255.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide is sourced from PubChem (CID 119878910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).