N-(2-imidazol-1-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C9H14N4S — CID 61460799

IUPACN-(2-imidazol-1-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESc1cn(CCNC2=NCCCS2)cn1
InChIInChI=1S/C9H14N4S/c1-2-11-9(14-7-1)12-4-6-13-5-3-10-8-13/h3,5,8H,1-2,4,6-7H2,(H,11,12)
InChIKeyOVNIYYBISGGRGX-UHFFFAOYSA-N
MW210.31 g/mol
LogP0.97
Rot. Bonds3

About N-(2-imidazol-1-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(2-imidazol-1-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 61460799) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID61460799
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC NameN-(2-imidazol-1-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESc1cn(CCNC2=NCCCS2)cn1
InChIInChI=1S/C9H14N4S/c1-2-11-9(14-7-1)12-4-6-13-5-3-10-8-13/h3,5,8H,1-2,4,6-7H2,(H,11,12)
InChIKeyOVNIYYBISGGRGX-UHFFFAOYSA-N
XLogP0.97
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 61460799) is N-(2-imidazol-1-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is c1cn(CCNC2=NCCCS2)cn1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is OVNIYYBISGGRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-2-11-9(14-7-1)12-4-6-13-5-3-10-8-13/h3,5,8H,1-2,4,6-7H2,(H,11,12).
What are the key properties of N-(2-imidazol-1-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-imidazol-1-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 210.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 61460799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).