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

C16H21N3OS — CID 110386263

IUPACN-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide
SMILESCNc1nc(CC(=O)Nc2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C16H21N3OS/c1-16(2,3)11-5-7-12(8-6-11)18-14(20)9-13-10-21-15(17-4)19-13/h5-8,10H,9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyRMOZCYLONJZXAN-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.66
Rot. Bonds4

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

N-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide (PubChem CID 110386263) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide
PubChem CID110386263
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide
SMILESCNc1nc(CC(=O)Nc2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C16H21N3OS/c1-16(2,3)11-5-7-12(8-6-11)18-14(20)9-13-10-21-15(17-4)19-13/h5-8,10H,9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyRMOZCYLONJZXAN-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 156706883
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 110386278
N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide
CID 138673723
N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide
CID 82155172
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110386251
N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide
CID 110462979
N-(4-tert-butylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 50753766
methyl 4-[[2-(2-acetamido-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 41227458
4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567938
2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 18568208
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide (CID 110386263) is N-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide is CNc1nc(CC(=O)Nc2ccc(C(C)(C)C)cc2)cs1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is RMOZCYLONJZXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-16(2,3)11-5-7-12(8-6-11)18-14(20)9-13-10-21-15(17-4)19-13/h5-8,10H,9H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide?
N-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110386263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).