2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-6-amine

C17H14N4OS — CID 71913583

IUPAC2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-6-amine
SMILESCc1nc2ccc(NCc3cnc(-c4ccccn4)s3)cc2o1
InChIInChI=1S/C17H14N4OS/c1-11-21-14-6-5-12(8-16(14)22-11)19-9-13-10-20-17(23-13)15-4-2-3-7-18-15/h2-8,10,19H,9H2,1H3
InChIKeyMGDSBBDZVVUPDM-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.27
Rot. Bonds4

About 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-6-amine

2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-6-amine (PubChem CID 71913583) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-6-amine
PubChem CID71913583
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-6-amine
SMILESCc1nc2ccc(NCc3cnc(-c4ccccn4)s3)cc2o1
InChIInChI=1S/C17H14N4OS/c1-11-21-14-6-5-12(8-16(14)22-11)19-9-13-10-20-17(23-13)15-4-2-3-7-18-15/h2-8,10,19H,9H2,1H3
InChIKeyMGDSBBDZVVUPDM-UHFFFAOYSA-N
XLogP4.27
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-6-amine?
The IUPAC name of 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-6-amine (CID 71913583) is 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-6-amine is Cc1nc2ccc(NCc3cnc(-c4ccccn4)s3)cc2o1.
What is the InChIKey of 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-6-amine?
The InChIKey is MGDSBBDZVVUPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-11-21-14-6-5-12(8-16(14)22-11)19-9-13-10-20-17(23-13)15-4-2-3-7-18-15/h2-8,10,19H,9H2,1H3.
What are the key properties of 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-6-amine?
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-6-amine has a molecular weight of 322.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-6-amine is sourced from PubChem (CID 71913583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).