N-(2-methylpropyl)-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine

C10H16N2S2 — CID 62941092

IUPACN-(2-methylpropyl)-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine
SMILESCC(C)CNc1nc2c(s1)CSCC2
InChIInChI=1S/C10H16N2S2/c1-7(2)5-11-10-12-8-3-4-13-6-9(8)14-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyMFABGPUWHBZGFF-UHFFFAOYSA-N
MW228.39 g/mol
LogP3.00
Rot. Bonds3

About N-(2-methylpropyl)-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine

N-(2-methylpropyl)-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine (PubChem CID 62941092) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine
PubChem CID62941092
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC NameN-(2-methylpropyl)-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine
SMILESCC(C)CNc1nc2c(s1)CSCC2
InChIInChI=1S/C10H16N2S2/c1-7(2)5-11-10-12-8-3-4-13-6-9(8)14-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyMFABGPUWHBZGFF-UHFFFAOYSA-N
XLogP3.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine (CID 62941092) is N-(2-methylpropyl)-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine is CC(C)CNc1nc2c(s1)CSCC2.
What is the InChIKey of N-(2-methylpropyl)-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine?
The InChIKey is MFABGPUWHBZGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-7(2)5-11-10-12-8-3-4-13-6-9(8)14-10/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-(2-methylpropyl)-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine?
N-(2-methylpropyl)-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine has a molecular weight of 228.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine is sourced from PubChem (CID 62941092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).