4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine

C14H17N3OS — CID 82354821

IUPAC4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
SMILESCC(C)C1CNc2cc(-c3csc(N)n3)ccc2O1
InChIInChI=1S/C14H17N3OS/c1-8(2)13-6-16-10-5-9(3-4-12(10)18-13)11-7-19-14(15)17-11/h3-5,7-8,13,16H,6H2,1-2H3,(H2,15,17)
InChIKeyBJKAMXHCHJMQCA-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.22
Rot. Bonds2

About 4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine

4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine (PubChem CID 82354821) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
PubChem CID82354821
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
SMILESCC(C)C1CNc2cc(-c3csc(N)n3)ccc2O1
InChIInChI=1S/C14H17N3OS/c1-8(2)13-6-16-10-5-9(3-4-12(10)18-13)11-7-19-14(15)17-11/h3-5,7-8,13,16H,6H2,1-2H3,(H2,15,17)
InChIKeyBJKAMXHCHJMQCA-UHFFFAOYSA-N
XLogP3.22
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine (CID 82354821) is 4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine is CC(C)C1CNc2cc(-c3csc(N)n3)ccc2O1.
What is the InChIKey of 4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is BJKAMXHCHJMQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-8(2)13-6-16-10-5-9(3-4-12(10)18-13)11-7-19-14(15)17-11/h3-5,7-8,13,16H,6H2,1-2H3,(H2,15,17).
What are the key properties of 4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 275.38 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82354821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).