N-(1,3-benzoxazol-2-yl)-3-methylthiophene-2-carboxamide

C13H10N2O2S — CID 112528150

IUPACN-(1,3-benzoxazol-2-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1nc2ccccc2o1
InChIInChI=1S/C13H10N2O2S/c1-8-6-7-18-11(8)12(16)15-13-14-9-4-2-3-5-10(9)17-13/h2-7H,1H3,(H,14,15,16)
InChIKeyGJTLKNLGGDKCBJ-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.45
Rot. Bonds2

About N-(1,3-benzoxazol-2-yl)-3-methylthiophene-2-carboxamide

N-(1,3-benzoxazol-2-yl)-3-methylthiophene-2-carboxamide (PubChem CID 112528150) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-yl)-3-methylthiophene-2-carboxamide
PubChem CID112528150
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC NameN-(1,3-benzoxazol-2-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1nc2ccccc2o1
InChIInChI=1S/C13H10N2O2S/c1-8-6-7-18-11(8)12(16)15-13-14-9-4-2-3-5-10(9)17-13/h2-7H,1H3,(H,14,15,16)
InChIKeyGJTLKNLGGDKCBJ-UHFFFAOYSA-N
XLogP3.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
N-(1,3-benzoxazol-2-yl)-5-chlorothiophene-2-carboxamide
CID 112528149
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 2534314
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 42116254
2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 24708997
3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 91900874
[2-[(3-methylthiophene-2-carbonyl)amino]phenyl]boronic acid
CID 58689740
N-(2-ethylphenyl)-3-methylthiophene-2-carboxamide
CID 8839481
(Z)-3-(1,3-benzoxazol-2-yl)-4-(3-methylthiophen-2-yl)but-3-enoic acid
CID 74766407
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-2-yl)-3-methylthiophene-2-carboxamide (CID 112528150) is N-(1,3-benzoxazol-2-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-2-yl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1nc2ccccc2o1.
What is the InChIKey of N-(1,3-benzoxazol-2-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is GJTLKNLGGDKCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-8-6-7-18-11(8)12(16)15-13-14-9-4-2-3-5-10(9)17-13/h2-7H,1H3,(H,14,15,16).
What are the key properties of N-(1,3-benzoxazol-2-yl)-3-methylthiophene-2-carboxamide?
N-(1,3-benzoxazol-2-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-yl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 112528150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).