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

C10H16N2S2 — CID 62544347

IUPACN-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-1-amine
SMILESCCCNCc1nc2c(s1)CSCC2
InChIInChI=1S/C10H16N2S2/c1-2-4-11-6-10-12-8-3-5-13-7-9(8)14-10/h11H,2-7H2,1H3
InChIKeyHTDMCHUCNXLBAT-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.43
Rot. Bonds4

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

N-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-1-amine (PubChem CID 62544347) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-1-amine
PubChem CID62544347
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC NameN-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-1-amine
SMILESCCCNCc1nc2c(s1)CSCC2
InChIInChI=1S/C10H16N2S2/c1-2-4-11-6-10-12-8-3-5-13-7-9(8)14-10/h11H,2-7H2,1H3
InChIKeyHTDMCHUCNXLBAT-UHFFFAOYSA-N
XLogP2.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine
CID 62543027
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine
CID 115887221
N-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine
CID 62941268
N-(2-methylpropyl)-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine
CID 62941092
N-[[2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 81261265
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-fluoropropan-1-amine
CID 115887949
1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone
CID 63379224
N-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]-2-methylpropan-1-amine
CID 62923045
2-methoxy-N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 62703728
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-en-1-amine
CID 82113115
5-methyl-2-(propylaminomethyl)-1,3-thiazole-4-carboxylic acid
CID 115422064
2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 130511936

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-1-amine?
The IUPAC name of N-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-1-amine (CID 62544347) is N-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-1-amine is CCCNCc1nc2c(s1)CSCC2.
What is the InChIKey of N-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-1-amine?
The InChIKey is HTDMCHUCNXLBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-2-4-11-6-10-12-8-3-5-13-7-9(8)14-10/h11H,2-7H2,1H3.
What are the key properties of N-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-1-amine?
N-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-1-amine has a molecular weight of 228.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62544347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).