N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide

C16H21N3OS — CID 115592184

IUPACN-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2csc(C(C)(C)C)n2)cc1
InChIInChI=1S/C16H21N3OS/c1-11(20)18-13-7-5-12(6-8-13)17-9-14-10-21-15(19-14)16(2,3)4/h5-8,10,17H,9H2,1-4H3,(H,18,20)
InChIKeyBBZSSCJBOSJWCL-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.01
Rot. Bonds4

About N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide

N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide (PubChem CID 115592184) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
PubChem CID115592184
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2csc(C(C)(C)C)n2)cc1
InChIInChI=1S/C16H21N3OS/c1-11(20)18-13-7-5-12(6-8-13)17-9-14-10-21-15(19-14)16(2,3)4/h5-8,10,17H,9H2,1-4H3,(H,18,20)
InChIKeyBBZSSCJBOSJWCL-UHFFFAOYSA-N
XLogP4.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3,4-difluoroaniline
CID 115694591
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43139161
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 115703933
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide
CID 146085974
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]benzoic acid
CID 120509449
methyl 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-methylpropanoate
CID 115609824
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide
CID 47285247
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-methylbenzamide
CID 115686050
N-[4-[[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 166183456
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 113362922
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115777221
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide (CID 115592184) is N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide is CC(=O)Nc1ccc(NCc2csc(C(C)(C)C)n2)cc1.
What is the InChIKey of N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide?
The InChIKey is BBZSSCJBOSJWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11(20)18-13-7-5-12(6-8-13)17-9-14-10-21-15(19-14)16(2,3)4/h5-8,10,17H,9H2,1-4H3,(H,18,20).
What are the key properties of N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide?
N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 115592184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).