N-(1-cyclopropylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C10H18N2S — CID 65035699

IUPACN-(1-cyclopropylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NC(C)C2CC2)SC1
InChIInChI=1S/C10H18N2S/c1-7-5-11-10(13-6-7)12-8(2)9-3-4-9/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyRKLDNDJFLLKUBF-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.11
Rot. Bonds2

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

N-(1-cyclopropylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65035699) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65035699
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-(1-cyclopropylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NC(C)C2CC2)SC1
InChIInChI=1S/C10H18N2S/c1-7-5-11-10(13-6-7)12-8(2)9-3-4-9/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyRKLDNDJFLLKUBF-UHFFFAOYSA-N
XLogP2.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(1-cyclopropylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65035699) is N-(1-cyclopropylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NC(C)C2CC2)SC1.
What is the InChIKey of N-(1-cyclopropylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is RKLDNDJFLLKUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-7-5-11-10(13-6-7)12-8(2)9-3-4-9/h7-9H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-(1-cyclopropylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(1-cyclopropylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 198.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65035699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).