3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol

C15H20N2O2S — CID 154737889

IUPAC3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol
SMILESCc1nc2c(s1)C(NC(CCO)c1ccco1)CCC2
InChIInChI=1S/C15H20N2O2S/c1-10-16-12-4-2-5-13(15(12)20-10)17-11(7-8-18)14-6-3-9-19-14/h3,6,9,11,13,17-18H,2,4-5,7-8H2,1H3
InChIKeyNVHDRMIPQYRKOW-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.14
Rot. Bonds5

About 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol

3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol (PubChem CID 154737889) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol
PubChem CID154737889
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol
SMILESCc1nc2c(s1)C(NC(CCO)c1ccco1)CCC2
InChIInChI=1S/C15H20N2O2S/c1-10-16-12-4-2-5-13(15(12)20-10)17-11(7-8-18)14-6-3-9-19-14/h3,6,9,11,13,17-18H,2,4-5,7-8H2,1H3
InChIKeyNVHDRMIPQYRKOW-UHFFFAOYSA-N
XLogP3.14
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol with MolForge

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Related Compounds

3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol
CID 136539179
N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 54444371
3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133490778
N-cyclopent-3-en-1-yl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 84588719
(7S)-2-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 97323193
2-(furan-2-yl)-2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol
CID 133461446
2-[4-[1-(furan-2-yl)propylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 62632545
3-(furan-2-yl)-3-(propylamino)propan-1-ol
CID 64814709
2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 75383177
(7R)-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 97231721
3-anilino-3-(furan-2-yl)propan-1-ol
CID 83821736
3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 133490704

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol?
The IUPAC name of 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol (CID 154737889) is 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol.
What is the SMILES notation for 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol?
The canonical SMILES for 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol is Cc1nc2c(s1)C(NC(CCO)c1ccco1)CCC2.
What is the InChIKey of 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol?
The InChIKey is NVHDRMIPQYRKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10-16-12-4-2-5-13(15(12)20-10)17-11(7-8-18)14-6-3-9-19-14/h3,6,9,11,13,17-18H,2,4-5,7-8H2,1H3.
What are the key properties of 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol?
3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol has a molecular weight of 292.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol is sourced from PubChem (CID 154737889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).