[1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol

C13H22N2OS — CID 79479291

IUPAC[1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
SMILESCC(C)(C)c1ncc(CNCC2(CO)CC2)s1
InChIInChI=1S/C13H22N2OS/c1-12(2,3)11-15-7-10(17-11)6-14-8-13(9-16)4-5-13/h7,14,16H,4-6,8-9H2,1-3H3
InChIKeyOJUFNRQAJLAXCQ-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.30
Rot. Bonds5

About [1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol

[1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 79479291) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
PubChem CID79479291
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
SMILESCC(C)(C)c1ncc(CNCC2(CO)CC2)s1
InChIInChI=1S/C13H22N2OS/c1-12(2,3)11-15-7-10(17-11)6-14-8-13(9-16)4-5-13/h7,14,16H,4-6,8-9H2,1-3H3
InChIKeyOJUFNRQAJLAXCQ-UHFFFAOYSA-N
XLogP2.30
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 111114502
1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78975086
1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705070
2-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 103845616
[1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 111916796
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009042
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol
CID 79254041
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904081
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664449
3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731562
2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol
CID 103992620
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylmethanamine
CID 63032797

Frequently Asked Questions

What is the IUPAC name of [1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol (CID 79479291) is [1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol is CC(C)(C)c1ncc(CNCC2(CO)CC2)s1.
What is the InChIKey of [1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is OJUFNRQAJLAXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-12(2,3)11-15-7-10(17-11)6-14-8-13(9-16)4-5-13/h7,14,16H,4-6,8-9H2,1-3H3.
What are the key properties of [1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 254.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 79479291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).