N-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide

C19H16N4O2S — CID 108776305

IUPACN-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(Nc3nc4ccccc4o3)n2)cc1
InChIInChI=1S/C19H16N4O2S/c1-12(24)20-10-13-6-8-14(9-7-13)16-11-26-19(22-16)23-18-21-15-4-2-3-5-17(15)25-18/h2-9,11H,10H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyYWITYNMMFYNKJB-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.33
Rot. Bonds5

About N-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide

N-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide (PubChem CID 108776305) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
PubChem CID108776305
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(Nc3nc4ccccc4o3)n2)cc1
InChIInChI=1S/C19H16N4O2S/c1-12(24)20-10-13-6-8-14(9-7-13)16-11-26-19(22-16)23-18-21-15-4-2-3-5-17(15)25-18/h2-9,11H,10H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyYWITYNMMFYNKJB-UHFFFAOYSA-N
XLogP4.33
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[2-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108776317
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343440
N-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570
(E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108739801
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one
CID 10427069
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 108762412
N-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 24505657
N-[[4-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108776313
ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate
CID 108739772
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzoxazol-2-amine
CID 108777909
N-[[4-[2-(3-chloro-4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343278

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide (CID 108776305) is N-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(-c2csc(Nc3nc4ccccc4o3)n2)cc1.
What is the InChIKey of N-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The InChIKey is YWITYNMMFYNKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12(24)20-10-13-6-8-14(9-7-13)16-11-26-19(22-16)23-18-21-15-4-2-3-5-17(15)25-18/h2-9,11H,10H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
N-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide has a molecular weight of 364.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 108776305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).