4-tert-butyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C14H23N3S2 — CID 106351880

IUPAC4-tert-butyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1csc(C(C)NC2=NC(C(C)(C)C)CCS2)n1
InChIInChI=1S/C14H23N3S2/c1-9-8-19-12(15-9)10(2)16-13-17-11(6-7-18-13)14(3,4)5/h8,10-11H,6-7H2,1-5H3,(H,16,17)
InChIKeyIEGJBSQIDXKBOR-UHFFFAOYSA-N
MW297.49 g/mol
LogP4.01
Rot. Bonds2

About 4-tert-butyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

4-tert-butyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351880) has the molecular formula C14H23N3S2 and a molecular weight of 297.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351880
Molecular FormulaC14H23N3S2
Molecular Weight297.49 g/mol
Exact Mass297.13
IUPAC Name4-tert-butyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1csc(C(C)NC2=NC(C(C)(C)C)CCS2)n1
InChIInChI=1S/C14H23N3S2/c1-9-8-19-12(15-9)10(2)16-13-17-11(6-7-18-13)14(3,4)5/h8,10-11H,6-7H2,1-5H3,(H,16,17)
InChIKeyIEGJBSQIDXKBOR-UHFFFAOYSA-N
XLogP4.01
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351880) is 4-tert-butyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1csc(C(C)NC2=NC(C(C)(C)C)CCS2)n1.
What is the InChIKey of 4-tert-butyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is IEGJBSQIDXKBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S2/c1-9-8-19-12(15-9)10(2)16-13-17-11(6-7-18-13)14(3,4)5/h8,10-11H,6-7H2,1-5H3,(H,16,17).
What are the key properties of 4-tert-butyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 297.49 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).