N-[3-[[4-(2-methoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide

C21H23N3O2S — CID 84565397

IUPACN-[3-[[4-(2-methoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCOc1ccc(C(C)C)cc1-c1csc(Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C21H23N3O2S/c1-13(2)15-8-9-20(26-4)18(10-15)19-12-27-21(24-19)23-17-7-5-6-16(11-17)22-14(3)25/h5-13H,1-4H3,(H,22,25)(H,23,24)
InChIKeyMIXGACHDBIQOOS-UHFFFAOYSA-N
MW381.50 g/mol
LogP5.64
Rot. Bonds6

About N-[3-[[4-(2-methoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide

N-[3-[[4-(2-methoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (PubChem CID 84565397) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[3-[[4-(2-methoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(2-methoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
PubChem CID84565397
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[3-[[4-(2-methoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCOc1ccc(C(C)C)cc1-c1csc(Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C21H23N3O2S/c1-13(2)15-8-9-20(26-4)18(10-15)19-12-27-21(24-19)23-17-7-5-6-16(11-17)22-14(3)25/h5-13H,1-4H3,(H,22,25)(H,23,24)
InChIKeyMIXGACHDBIQOOS-UHFFFAOYSA-N
XLogP5.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
N-[3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564819
N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565401
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564814
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 95477972
4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
N-[3-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564813
N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565384
N-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565373
N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 5168594
3-acetamido-N-(2-methoxy-5-propan-2-ylphenyl)benzamide
CID 110792606

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(2-methoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(2-methoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (CID 84565397) is N-[3-[[4-(2-methoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(2-methoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(2-methoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is COc1ccc(C(C)C)cc1-c1csc(Nc2cccc(NC(C)=O)c2)n1.
What is the InChIKey of N-[3-[[4-(2-methoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The InChIKey is MIXGACHDBIQOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-13(2)15-8-9-20(26-4)18(10-15)19-12-27-21(24-19)23-17-7-5-6-16(11-17)22-14(3)25/h5-13H,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[[4-(2-methoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
N-[3-[[4-(2-methoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide has a molecular weight of 381.50 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(2-methoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 84565397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).