N-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide

C12H15N3OS — CID 43439901

IUPACN-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC2=NC(C)CS2)c1
InChIInChI=1S/C12H15N3OS/c1-8-7-17-12(13-8)15-11-5-3-4-10(6-11)14-9(2)16/h3-6,8H,7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyPTLOMYZLQOGFHF-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.55
Rot. Bonds2

About N-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide

N-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide (PubChem CID 43439901) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide
PubChem CID43439901
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC2=NC(C)CS2)c1
InChIInChI=1S/C12H15N3OS/c1-8-7-17-12(13-8)15-11-5-3-4-10(6-11)14-9(2)16/h3-6,8H,7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyPTLOMYZLQOGFHF-UHFFFAOYSA-N
XLogP2.55
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide
CID 106362736
N-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide
CID 62524825
N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide
CID 115361118
4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 43439887
N-[3-[(4,4-dimethylthian-3-yl)amino]phenyl]acetamide
CID 79951402
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
N-[3-(cyclopropylamino)phenyl]acetamide
CID 45119286
3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide
CID 114003567
N-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide
CID 79508536
N-[3-(4-fluoroanilino)phenyl]acetamide
CID 82536071
N-(3-ethylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187098
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide (CID 43439901) is N-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(NC2=NC(C)CS2)c1.
What is the InChIKey of N-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide?
The InChIKey is PTLOMYZLQOGFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-7-17-12(13-8)15-11-5-3-4-10(6-11)14-9(2)16/h3-6,8H,7H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide?
N-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide has a molecular weight of 249.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 43439901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).