[3-[[5-(2,3-dihydro-1,3-benzothiazol-2-yl)-2-(methylamino)-4-pyridinyl]amino]cyclopentyl]methanol

C19H24N4OS — CID 137448070

IUPAC[3-[[5-(2,3-dihydro-1,3-benzothiazol-2-yl)-2-(methylamino)-4-pyridinyl]amino]cyclopentyl]methanol
SMILESCNc1cc(NC2CCC(CO)C2)c(C2Nc3ccccc3S2)cn1
InChIInChI=1S/C19H24N4OS/c1-20-18-9-16(22-13-7-6-12(8-13)11-24)14(10-21-18)19-23-15-4-2-3-5-17(15)25-19/h2-5,9-10,12-13,19,23-24H,6-8,11H2,1H3,(H2,20,21,22)
InChIKeyWDZRHSYVVLPCRY-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.91
Rot. Bonds5

About [3-[[5-(2,3-dihydro-1,3-benzothiazol-2-yl)-2-(methylamino)-4-pyridinyl]amino]cyclopentyl]methanol

[3-[[5-(2,3-dihydro-1,3-benzothiazol-2-yl)-2-(methylamino)-4-pyridinyl]amino]cyclopentyl]methanol (PubChem CID 137448070) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is [3-[[5-(2,3-dihydro-1,3-benzothiazol-2-yl)-2-(methylamino)-4-pyridinyl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[[5-(2,3-dihydro-1,3-benzothiazol-2-yl)-2-(methylamino)-4-pyridinyl]amino]cyclopentyl]methanol
PubChem CID137448070
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name[3-[[5-(2,3-dihydro-1,3-benzothiazol-2-yl)-2-(methylamino)-4-pyridinyl]amino]cyclopentyl]methanol
SMILESCNc1cc(NC2CCC(CO)C2)c(C2Nc3ccccc3S2)cn1
InChIInChI=1S/C19H24N4OS/c1-20-18-9-16(22-13-7-6-12(8-13)11-24)14(10-21-18)19-23-15-4-2-3-5-17(15)25-19/h2-5,9-10,12-13,19,23-24H,6-8,11H2,1H3,(H2,20,21,22)
InChIKeyWDZRHSYVVLPCRY-UHFFFAOYSA-N
XLogP3.91
TPSA69.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [3-[[5-(2,3-dihydro-1,3-benzothiazol-2-yl)-2-(methylamino)-4-pyridinyl]amino]cyclopentyl]methanol with MolForge

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Related Compounds

(2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole
CID 102081822
[3-[[5-(1,3-benzothiazol-2-yl)-2-[(2-methoxy-4-pyridinyl)amino]-4-pyridinyl]amino]cyclopentyl]methanol
CID 137448107
(2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole
CID 6928885
[3-[[3-(1,3-benzothiazol-2-yl)-2-methyl-6-(pyridin-4-ylamino)-4-pyridinyl]amino]cyclopentyl]methanol
CID 144605955
2-imidazo[1,2-a]pyridin-7-yl-2,3-dihydro-1,3-benzothiazole
CID 91499200
(2R)-2-phenyl-2,3-dihydro-1,3-benzothiazole
CID 92935373
N-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline
CID 64501492
[3-[(2-amino-5-pyridin-2-ylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 155582673
[3-[(9-phenylfluoren-9-yl)amino]cyclopentyl]methanol
CID 71346151
(2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole
CID 92543565
[4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrrol-3-yl)methanone
CID 144769913
[3-[[2-[(2-methoxy-4-pyridinyl)amino]-5-pyrazol-1-yl-1,4-dihydropyrimidin-6-yl]amino]cyclopentyl]methanol
CID 163268562

Frequently Asked Questions

What is the IUPAC name of [3-[[5-(2,3-dihydro-1,3-benzothiazol-2-yl)-2-(methylamino)-4-pyridinyl]amino]cyclopentyl]methanol?
The IUPAC name of [3-[[5-(2,3-dihydro-1,3-benzothiazol-2-yl)-2-(methylamino)-4-pyridinyl]amino]cyclopentyl]methanol (CID 137448070) is [3-[[5-(2,3-dihydro-1,3-benzothiazol-2-yl)-2-(methylamino)-4-pyridinyl]amino]cyclopentyl]methanol.
What is the SMILES notation for [3-[[5-(2,3-dihydro-1,3-benzothiazol-2-yl)-2-(methylamino)-4-pyridinyl]amino]cyclopentyl]methanol?
The canonical SMILES for [3-[[5-(2,3-dihydro-1,3-benzothiazol-2-yl)-2-(methylamino)-4-pyridinyl]amino]cyclopentyl]methanol is CNc1cc(NC2CCC(CO)C2)c(C2Nc3ccccc3S2)cn1.
What is the InChIKey of [3-[[5-(2,3-dihydro-1,3-benzothiazol-2-yl)-2-(methylamino)-4-pyridinyl]amino]cyclopentyl]methanol?
The InChIKey is WDZRHSYVVLPCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-20-18-9-16(22-13-7-6-12(8-13)11-24)14(10-21-18)19-23-15-4-2-3-5-17(15)25-19/h2-5,9-10,12-13,19,23-24H,6-8,11H2,1H3,(H2,20,21,22).
What are the key properties of [3-[[5-(2,3-dihydro-1,3-benzothiazol-2-yl)-2-(methylamino)-4-pyridinyl]amino]cyclopentyl]methanol?
[3-[[5-(2,3-dihydro-1,3-benzothiazol-2-yl)-2-(methylamino)-4-pyridinyl]amino]cyclopentyl]methanol has a molecular weight of 356.50 g/mol, XLogP of 3.91, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-(2,3-dihydro-1,3-benzothiazol-2-yl)-2-(methylamino)-4-pyridinyl]amino]cyclopentyl]methanol is sourced from PubChem (CID 137448070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).