3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol

C13H22N2O2S — CID 114143438

IUPAC3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol
SMILESCC(C)(C)c1csc(CNCC2(O)CCOC2)n1
InChIInChI=1S/C13H22N2O2S/c1-12(2,3)10-7-18-11(15-10)6-14-8-13(16)4-5-17-9-13/h7,14,16H,4-6,8-9H2,1-3H3
InChIKeyLATPBEWOYKYBDN-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.68
Rot. Bonds4

About 3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol

3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol (PubChem CID 114143438) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol
PubChem CID114143438
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol
SMILESCC(C)(C)c1csc(CNCC2(O)CCOC2)n1
InChIInChI=1S/C13H22N2O2S/c1-12(2,3)10-7-18-11(15-10)6-14-8-13(16)4-5-17-9-13/h7,14,16H,4-6,8-9H2,1-3H3
InChIKeyLATPBEWOYKYBDN-UHFFFAOYSA-N
XLogP1.68
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-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

3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 115765948
2-[1-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756582
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111104396
3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol
CID 115765976
4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol
CID 78942180
3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol
CID 103923799
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 79816956
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480
5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 106102548
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-iodopropan-1-amine
CID 114503717
2-(2-aminoethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 114143528

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol (CID 114143438) is 3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol is CC(C)(C)c1csc(CNCC2(O)CCOC2)n1.
What is the InChIKey of 3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol?
The InChIKey is LATPBEWOYKYBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-12(2,3)10-7-18-11(15-10)6-14-8-13(16)4-5-17-9-13/h7,14,16H,4-6,8-9H2,1-3H3.
What are the key properties of 3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol?
3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol has a molecular weight of 270.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 114143438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).