2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C15H18N2O2S — CID 62753529

IUPAC2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESOC1CCCc2nc(N(Cc3ccco3)C3CC3)sc21
InChIInChI=1S/C15H18N2O2S/c18-13-5-1-4-12-14(13)20-15(16-12)17(10-6-7-10)9-11-3-2-8-19-11/h2-3,8,10,13,18H,1,4-7,9H2
InChIKeyYYWGKIMVYDTISG-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.27
Rot. Bonds4

About 2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 62753529) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID62753529
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESOC1CCCc2nc(N(Cc3ccco3)C3CC3)sc21
InChIInChI=1S/C15H18N2O2S/c18-13-5-1-4-12-14(13)20-15(16-12)17(10-6-7-10)9-11-3-2-8-19-11/h2-3,8,10,13,18H,1,4-7,9H2
InChIKeyYYWGKIMVYDTISG-UHFFFAOYSA-N
XLogP3.27
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64622852
2-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62752460
2-[furan-2-ylmethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977445
N-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine
CID 62753288
6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79827765
2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62757978
2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 62343468
2-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62715538
4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde
CID 55003500
N-cyclopropyl-N-(furan-2-ylmethyl)-4-(methylaminomethyl)-1,3-oxazol-2-amine
CID 113377759
4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide
CID 62927141
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80814460

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 62753529) is 2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is OC1CCCc2nc(N(Cc3ccco3)C3CC3)sc21.
What is the InChIKey of 2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is YYWGKIMVYDTISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-13-5-1-4-12-14(13)20-15(16-12)17(10-6-7-10)9-11-3-2-8-19-11/h2-3,8,10,13,18H,1,4-7,9H2.
What are the key properties of 2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 290.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62753529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).