2-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-5-yl]-N-methylacetamide

C13H12N4O2S — CID 169415124

IUPAC2-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-5-yl]-N-methylacetamide
SMILESCNC(=O)Cc1cnc(Nc2nc3ccccc3o2)s1
InChIInChI=1S/C13H12N4O2S/c1-14-11(18)6-8-7-15-13(20-8)17-12-16-9-4-2-3-5-10(9)19-12/h2-5,7H,6H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyRZBYZKTVKYRXMZ-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.32
Rot. Bonds4

About 2-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-5-yl]-N-methylacetamide

2-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-5-yl]-N-methylacetamide (PubChem CID 169415124) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-5-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-5-yl]-N-methylacetamide
PubChem CID169415124
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name2-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-5-yl]-N-methylacetamide
SMILESCNC(=O)Cc1cnc(Nc2nc3ccccc3o2)s1
InChIInChI=1S/C13H12N4O2S/c1-14-11(18)6-8-7-15-13(20-8)17-12-16-9-4-2-3-5-10(9)19-12/h2-5,7H,6H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyRZBYZKTVKYRXMZ-UHFFFAOYSA-N
XLogP2.32
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide
CID 43840159
[5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine
CID 79765066
5-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine
CID 31043477
2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide
CID 36581358
N-[4-[[4-(1,3-benzoxazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzoxazol-2-amine
CID 14688880
N-(1,3-benzoxazol-2-yl)-2-(4-chlorophenyl)acetamide
CID 90655333
N-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108776305
2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid
CID 58984866
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708
2-[2-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]acetic acid
CID 81313394
(E)-3-(1,3-benzoxazol-2-yl)-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 60578744
methyl 4-[4-(1,3-benzoxazol-2-ylamino)phenoxy]butanoate
CID 133302692

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-5-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-5-yl]-N-methylacetamide (CID 169415124) is 2-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-5-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-5-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-5-yl]-N-methylacetamide is CNC(=O)Cc1cnc(Nc2nc3ccccc3o2)s1.
What is the InChIKey of 2-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-5-yl]-N-methylacetamide?
The InChIKey is RZBYZKTVKYRXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-14-11(18)6-8-7-15-13(20-8)17-12-16-9-4-2-3-5-10(9)19-12/h2-5,7H,6H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of 2-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-5-yl]-N-methylacetamide?
2-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-5-yl]-N-methylacetamide has a molecular weight of 288.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-5-yl]-N-methylacetamide is sourced from PubChem (CID 169415124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).