(1-benzhydrylcyclopropyl)-[(5-methyl-1,3-thiazol-2-yl)amino]methanol

C21H22N2OS — CID 89274989

IUPAC(1-benzhydrylcyclopropyl)-[(5-methyl-1,3-thiazol-2-yl)amino]methanol
SMILESCc1cnc(NC(O)C2(C(c3ccccc3)c3ccccc3)CC2)s1
InChIInChI=1S/C21H22N2OS/c1-15-14-22-20(25-15)23-19(24)21(12-13-21)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,18-19,24H,12-13H2,1H3,(H,22,23)
InChIKeyQXFMUSBTMWWMCV-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.79
Rot. Bonds6

About (1-benzhydrylcyclopropyl)-[(5-methyl-1,3-thiazol-2-yl)amino]methanol

(1-benzhydrylcyclopropyl)-[(5-methyl-1,3-thiazol-2-yl)amino]methanol (PubChem CID 89274989) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is (1-benzhydrylcyclopropyl)-[(5-methyl-1,3-thiazol-2-yl)amino]methanol.

Molecular Properties

Compound Name(1-benzhydrylcyclopropyl)-[(5-methyl-1,3-thiazol-2-yl)amino]methanol
PubChem CID89274989
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name(1-benzhydrylcyclopropyl)-[(5-methyl-1,3-thiazol-2-yl)amino]methanol
SMILESCc1cnc(NC(O)C2(C(c3ccccc3)c3ccccc3)CC2)s1
InChIInChI=1S/C21H22N2OS/c1-15-14-22-20(25-15)23-19(24)21(12-13-21)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,18-19,24H,12-13H2,1H3,(H,22,23)
InChIKeyQXFMUSBTMWWMCV-UHFFFAOYSA-N
XLogP4.79
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-benzhydrylcyclopropyl)-[(5-methyl-1,3-thiazol-2-yl)amino]methanol?
The IUPAC name of (1-benzhydrylcyclopropyl)-[(5-methyl-1,3-thiazol-2-yl)amino]methanol (CID 89274989) is (1-benzhydrylcyclopropyl)-[(5-methyl-1,3-thiazol-2-yl)amino]methanol.
What is the SMILES notation for (1-benzhydrylcyclopropyl)-[(5-methyl-1,3-thiazol-2-yl)amino]methanol?
The canonical SMILES for (1-benzhydrylcyclopropyl)-[(5-methyl-1,3-thiazol-2-yl)amino]methanol is Cc1cnc(NC(O)C2(C(c3ccccc3)c3ccccc3)CC2)s1.
What is the InChIKey of (1-benzhydrylcyclopropyl)-[(5-methyl-1,3-thiazol-2-yl)amino]methanol?
The InChIKey is QXFMUSBTMWWMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-15-14-22-20(25-15)23-19(24)21(12-13-21)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,18-19,24H,12-13H2,1H3,(H,22,23).
What are the key properties of (1-benzhydrylcyclopropyl)-[(5-methyl-1,3-thiazol-2-yl)amino]methanol?
(1-benzhydrylcyclopropyl)-[(5-methyl-1,3-thiazol-2-yl)amino]methanol has a molecular weight of 350.49 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzhydrylcyclopropyl)-[(5-methyl-1,3-thiazol-2-yl)amino]methanol is sourced from PubChem (CID 89274989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).