N-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide

C13H12N4O3S — CID 82342362

IUPACN-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2ccc3[nH]c(=O)oc3c2)c(N)s1
InChIInChI=1S/C13H12N4O3S/c1-2-9(18)16-12-17-10(11(14)21-12)6-3-4-7-8(5-6)20-13(19)15-7/h3-5H,2,14H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyIZSVZUAZZUAJBB-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.18
Rot. Bonds3

About N-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide

N-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 82342362) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID82342362
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2ccc3[nH]c(=O)oc3c2)c(N)s1
InChIInChI=1S/C13H12N4O3S/c1-2-9(18)16-12-17-10(11(14)21-12)6-3-4-7-8(5-6)20-13(19)15-7/h3-5H,2,14H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyIZSVZUAZZUAJBB-UHFFFAOYSA-N
XLogP2.18
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
CID 82342293
N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide
CID 39072452
6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 82103001
6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 22693688
N-[5-amino-4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 82342305
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 24648632
2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
CID 39200811
6-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-3H-1,3-benzoxazol-2-one
CID 82360074
4-(3,4-dimethylphenyl)-2-(propanoylamino)-1,3-thiazole-5-carboxylic acid
CID 82226567
3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide
CID 110350957
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide (CID 82342362) is N-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(-c2ccc3[nH]c(=O)oc3c2)c(N)s1.
What is the InChIKey of N-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is IZSVZUAZZUAJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-2-9(18)16-12-17-10(11(14)21-12)6-3-4-7-8(5-6)20-13(19)15-7/h3-5H,2,14H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of N-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide?
N-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 304.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 82342362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).