1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine

C10H14N2OS — CID 102647886

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
SMILESCNC(C1=CCCCO1)c1cscn1
InChIInChI=1S/C10H14N2OS/c1-11-10(8-6-14-7-12-8)9-4-2-3-5-13-9/h4,6-7,10-11H,2-3,5H2,1H3
InChIKeyIHHBQSUFHMVOSV-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.10
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine

1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 102647886) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
PubChem CID102647886
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
SMILESCNC(C1=CCCCO1)c1cscn1
InChIInChI=1S/C10H14N2OS/c1-11-10(8-6-14-7-12-8)9-4-2-3-5-13-9/h4,6-7,10-11H,2-3,5H2,1H3
InChIKeyIHHBQSUFHMVOSV-UHFFFAOYSA-N
XLogP2.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,3-dihydrofuran-5-yl(1,3-thiazol-4-yl)methyl]ethanamine
CID 102651999
1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
CID 106654015
1-(2-chlorofuran-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 106693422
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 102651549
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 102647907
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 102651314
1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine
CID 102647455
1-(5-bromo-4-methylthiophen-2-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102649096
1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 102647397
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102648818
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 102649042
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107357474

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine (CID 102647886) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine is CNC(C1=CCCCO1)c1cscn1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is IHHBQSUFHMVOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-11-10(8-6-14-7-12-8)9-4-2-3-5-13-9/h4,6-7,10-11H,2-3,5H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine has a molecular weight of 210.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 102647886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).