N,5,7-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-benzoxazol-2-amine

C14H16N4OS — CID 166243724

IUPACN,5,7-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-benzoxazol-2-amine
SMILESCc1cc(C)c2oc(N(C)Cc3nnc(C)s3)nc2c1
InChIInChI=1S/C14H16N4OS/c1-8-5-9(2)13-11(6-8)15-14(19-13)18(4)7-12-17-16-10(3)20-12/h5-6H,7H2,1-4H3
InChIKeyZTTJXSZPKRCXCT-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.24
Rot. Bonds3

About N,5,7-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-benzoxazol-2-amine

N,5,7-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-benzoxazol-2-amine (PubChem CID 166243724) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N,5,7-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN,5,7-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-benzoxazol-2-amine
PubChem CID166243724
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN,5,7-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-benzoxazol-2-amine
SMILESCc1cc(C)c2oc(N(C)Cc3nnc(C)s3)nc2c1
InChIInChI=1S/C14H16N4OS/c1-8-5-9(2)13-11(6-8)15-14(19-13)18(4)7-12-17-16-10(3)20-12/h5-6H,7H2,1-4H3
InChIKeyZTTJXSZPKRCXCT-UHFFFAOYSA-N
XLogP3.24
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,5,7-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

2-ethyl-5,7-dimethyl-1,3-benzoxazole
CID 82229674
(5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 79001891
4-bromo-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 164658597
N-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine
CID 53376845
N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide
CID 130727418
5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole
CID 95909923
2-(3,5-dibromo-4-methylphenyl)-5,7-dimethyl-1,3-benzoxazole
CID 50880214
1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 125176993
5,7-dimethyl-2-(1-methylpyridin-1-ium-4-yl)-1,3-benzoxazole
CID 100817845
(1S)-N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 100748509
2-(4-tert-butylphenyl)-5,7-dimethyl-1,3-benzoxazole
CID 71242093
[2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine
CID 81317575

Frequently Asked Questions

What is the IUPAC name of N,5,7-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N,5,7-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-benzoxazol-2-amine (CID 166243724) is N,5,7-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N,5,7-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N,5,7-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-benzoxazol-2-amine is Cc1cc(C)c2oc(N(C)Cc3nnc(C)s3)nc2c1.
What is the InChIKey of N,5,7-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-benzoxazol-2-amine?
The InChIKey is ZTTJXSZPKRCXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-8-5-9(2)13-11(6-8)15-14(19-13)18(4)7-12-17-16-10(3)20-12/h5-6H,7H2,1-4H3.
What are the key properties of N,5,7-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-benzoxazol-2-amine?
N,5,7-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-benzoxazol-2-amine has a molecular weight of 288.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,7-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 166243724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).