5-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-2-amine

C14H17N3OS — CID 120903458

IUPAC5-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc2c(c1)N(Cc1cnc(N)s1)CC(C)O2
InChIInChI=1S/C14H17N3OS/c1-9-3-4-13-12(5-9)17(7-10(2)18-13)8-11-6-16-14(15)19-11/h3-6,10H,7-8H2,1-2H3,(H2,15,16)
InChIKeyDCXQKZJIYGERGP-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.82
Rot. Bonds2

About 5-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-2-amine

5-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 120903458) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 5-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID120903458
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name5-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc2c(c1)N(Cc1cnc(N)s1)CC(C)O2
InChIInChI=1S/C14H17N3OS/c1-9-3-4-13-12(5-9)17(7-10(2)18-13)8-11-6-16-14(15)19-11/h3-6,10H,7-8H2,1-2H3,(H2,15,16)
InChIKeyDCXQKZJIYGERGP-UHFFFAOYSA-N
XLogP2.82
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-2-amine (CID 120903458) is 5-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-2-amine is Cc1ccc2c(c1)N(Cc1cnc(N)s1)CC(C)O2.
What is the InChIKey of 5-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is DCXQKZJIYGERGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-3-4-13-12(5-9)17(7-10(2)18-13)8-11-6-16-14(15)19-11/h3-6,10H,7-8H2,1-2H3,(H2,15,16).
What are the key properties of 5-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-2-amine?
5-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 275.38 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120903458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).