4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-thiazol-2-amine

C11H8ClN3OS — CID 81433643

IUPAC4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2nc3cccc(Cl)c3o2)cs1
InChIInChI=1S/C11H8ClN3OS/c12-7-2-1-3-8-10(7)16-9(15-8)4-6-5-17-11(13)14-6/h1-3,5H,4H2,(H2,13,14)
InChIKeyAPNZPVVITPBDOK-UHFFFAOYSA-N
MW265.73 g/mol
LogP3.11
Rot. Bonds2

About 4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-thiazol-2-amine

4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 81433643) has the molecular formula C11H8ClN3OS and a molecular weight of 265.73 g/mol. Its IUPAC name is 4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID81433643
Molecular FormulaC11H8ClN3OS
Molecular Weight265.73 g/mol
Exact Mass265.01
IUPAC Name4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2nc3cccc(Cl)c3o2)cs1
InChIInChI=1S/C11H8ClN3OS/c12-7-2-1-3-8-10(7)16-9(15-8)4-6-5-17-11(13)14-6/h1-3,5H,4H2,(H2,13,14)
InChIKeyAPNZPVVITPBDOK-UHFFFAOYSA-N
XLogP3.11
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.73
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-thiazol-2-amine (CID 81433643) is 4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-thiazol-2-amine is Nc1nc(Cc2nc3cccc(Cl)c3o2)cs1.
What is the InChIKey of 4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is APNZPVVITPBDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3OS/c12-7-2-1-3-8-10(7)16-9(15-8)4-6-5-17-11(13)14-6/h1-3,5H,4H2,(H2,13,14).
What are the key properties of 4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-thiazol-2-amine?
4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 265.73 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 81433643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).