lithium (5-methyl-1,3-thiazol-2-yl)-tri(propan-2-yloxy)boranuide

C13H25BLiNO3S — CID 163353578

IUPAClithium (5-methyl-1,3-thiazol-2-yl)-tri(propan-2-yloxy)boranuide
SMILESCc1cnc([B-](OC(C)C)(OC(C)C)OC(C)C)s1.[Li+]
InChIInChI=1S/C13H25BNO3S.Li/c1-9(2)16-14(17-10(3)4,18-11(5)6)13-15-8-12(7)19-13;/h8-11H,1-7H3;/q-1;+1
InChIKeyFGOLJPCYPZBSFR-UHFFFAOYSA-N
MW293.17 g/mol
LogP-0.12
Rot. Bonds7

About lithium (5-methyl-1,3-thiazol-2-yl)-tri(propan-2-yloxy)boranuide

lithium (5-methyl-1,3-thiazol-2-yl)-tri(propan-2-yloxy)boranuide (PubChem CID 163353578) has the molecular formula C13H25BLiNO3S and a molecular weight of 293.17 g/mol. Its IUPAC name is lithium (5-methyl-1,3-thiazol-2-yl)-tri(propan-2-yloxy)boranuide.

Molecular Properties

Compound Namelithium (5-methyl-1,3-thiazol-2-yl)-tri(propan-2-yloxy)boranuide
PubChem CID163353578
Molecular FormulaC13H25BLiNO3S
Molecular Weight293.17 g/mol
Exact Mass293.18
IUPAC Namelithium (5-methyl-1,3-thiazol-2-yl)-tri(propan-2-yloxy)boranuide
SMILESCc1cnc([B-](OC(C)C)(OC(C)C)OC(C)C)s1.[Li+]
InChIInChI=1S/C13H25BNO3S.Li/c1-9(2)16-14(17-10(3)4,18-11(5)6)13-15-8-12(7)19-13;/h8-11H,1-7H3;/q-1;+1
InChIKeyFGOLJPCYPZBSFR-UHFFFAOYSA-N
XLogP-0.12
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze lithium (5-methyl-1,3-thiazol-2-yl)-tri(propan-2-yloxy)boranuide 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-Methyl-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole
CID 20716501
5-Methyl-2-propan-2-yloxy-1,3-thiazole
CID 45121697
2-(2-Fluoropropoxy)-5-methyl-1,3-thiazole
CID 165040980
5-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
CID 46784911
2-Cyclopropyloxy-5-methyl-1,3-thiazole
CID 59154108
2-Ethoxy-5-methyl-1,3-thiazole
CID 59694041
5-Methyl-2-propoxy-1,3-thiazole
CID 143895190
Ethane;2-ethoxy-5-methyl-1,3-thiazole
CID 143945209
2-(2-Methoxyethoxy)-5-methyl-1,3-thiazole
CID 146420762
N-propan-2-yloxy-1-(1,3-thiazol-5-yl)methanimine
CID 155666701
Ethane;2-methoxy-5-methyl-1,3-thiazole
CID 164587133
(5-Methylthiazol-2-yl)boronic acid
CID 71463789

Frequently Asked Questions

What is the IUPAC name of lithium (5-methyl-1,3-thiazol-2-yl)-tri(propan-2-yloxy)boranuide?
The IUPAC name of lithium (5-methyl-1,3-thiazol-2-yl)-tri(propan-2-yloxy)boranuide (CID 163353578) is lithium (5-methyl-1,3-thiazol-2-yl)-tri(propan-2-yloxy)boranuide.
What is the SMILES notation for lithium (5-methyl-1,3-thiazol-2-yl)-tri(propan-2-yloxy)boranuide?
The canonical SMILES for lithium (5-methyl-1,3-thiazol-2-yl)-tri(propan-2-yloxy)boranuide is Cc1cnc([B-](OC(C)C)(OC(C)C)OC(C)C)s1.[Li+].
What is the InChIKey of lithium (5-methyl-1,3-thiazol-2-yl)-tri(propan-2-yloxy)boranuide?
The InChIKey is FGOLJPCYPZBSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BNO3S.Li/c1-9(2)16-14(17-10(3)4,18-11(5)6)13-15-8-12(7)19-13;/h8-11H,1-7H3;/q-1;+1.
What are the key properties of lithium (5-methyl-1,3-thiazol-2-yl)-tri(propan-2-yloxy)boranuide?
lithium (5-methyl-1,3-thiazol-2-yl)-tri(propan-2-yloxy)boranuide has a molecular weight of 293.17 g/mol, XLogP of -0.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (5-methyl-1,3-thiazol-2-yl)-tri(propan-2-yloxy)boranuide is sourced from PubChem (CID 163353578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).