5-methyl-N-(thiepan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine

C10H18N2S2 — CID 164646521

IUPAC5-methyl-N-(thiepan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NC2CCCSCC2)S1
InChIInChI=1S/C10H18N2S2/c1-8-7-11-10(14-8)12-9-3-2-5-13-6-4-9/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyLNEISBLGRXUSHJ-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.35
Rot. Bonds1

About 5-methyl-N-(thiepan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine

5-methyl-N-(thiepan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 164646521) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 5-methyl-N-(thiepan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(thiepan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID164646521
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name5-methyl-N-(thiepan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NC2CCCSCC2)S1
InChIInChI=1S/C10H18N2S2/c1-8-7-11-10(14-8)12-9-3-2-5-13-6-4-9/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyLNEISBLGRXUSHJ-UHFFFAOYSA-N
XLogP2.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(thiepan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-(thiepan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 164646521) is 5-methyl-N-(thiepan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(thiepan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-(thiepan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NC2CCCSCC2)S1.
What is the InChIKey of 5-methyl-N-(thiepan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LNEISBLGRXUSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-8-7-11-10(14-8)12-9-3-2-5-13-6-4-9/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of 5-methyl-N-(thiepan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-N-(thiepan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 230.40 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(thiepan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 164646521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).