1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol

C18H25N3OS — CID 111110353

IUPAC1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCc1nc(N(C)C)sc1CNCC1(O)CCCc2ccccc21
InChIInChI=1S/C18H25N3OS/c1-13-16(23-17(20-13)21(2)3)11-19-12-18(22)10-6-8-14-7-4-5-9-15(14)18/h4-5,7,9,19,22H,6,8,10-12H2,1-3H3
InChIKeyBXKRQXCSEFHEIO-UHFFFAOYSA-N
MW331.49 g/mol
LogP2.83
Rot. Bonds5

About 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol

1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 111110353) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID111110353
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCc1nc(N(C)C)sc1CNCC1(O)CCCc2ccccc21
InChIInChI=1S/C18H25N3OS/c1-13-16(23-17(20-13)21(2)3)11-19-12-18(22)10-6-8-14-7-4-5-9-15(14)18/h4-5,7,9,19,22H,6,8,10-12H2,1-3H3
InChIKeyBXKRQXCSEFHEIO-UHFFFAOYSA-N
XLogP2.83
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol (CID 111110353) is 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol is Cc1nc(N(C)C)sc1CNCC1(O)CCCc2ccccc21.
What is the InChIKey of 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is BXKRQXCSEFHEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-13-16(23-17(20-13)21(2)3)11-19-12-18(22)10-6-8-14-7-4-5-9-15(14)18/h4-5,7,9,19,22H,6,8,10-12H2,1-3H3.
What are the key properties of 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 331.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 111110353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).