3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol

C11H18F2N2OS — CID 103731562

IUPAC3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
SMILESCC(C)(C)c1ncc(CNCC(O)C(F)F)s1
InChIInChI=1S/C11H18F2N2OS/c1-11(2,3)10-15-5-7(17-10)4-14-6-8(16)9(12)13/h5,8-9,14,16H,4,6H2,1-3H3
InChIKeyKNGCUQXKLYJIOV-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.16
Rot. Bonds5

About 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol

3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol (PubChem CID 103731562) has the molecular formula C11H18F2N2OS and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
PubChem CID103731562
Molecular FormulaC11H18F2N2OS
Molecular Weight264.34 g/mol
Exact Mass264.11
IUPAC Name3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
SMILESCC(C)(C)c1ncc(CNCC(O)C(F)F)s1
InChIInChI=1S/C11H18F2N2OS/c1-11(2,3)10-15-5-7(17-10)4-14-6-8(16)9(12)13/h5,8-9,14,16H,4,6H2,1-3H3
InChIKeyKNGCUQXKLYJIOV-UHFFFAOYSA-N
XLogP2.16
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol
CID 111579157
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-3-methylsulfanylpropan-1-amine
CID 63983884
3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide
CID 103824326
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491448
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]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664449
[1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479291
2-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 103845616
1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 111114502
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009042
1-(5-bromothiophen-2-yl)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]methanamine
CID 55138618

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol (CID 103731562) is 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol is CC(C)(C)c1ncc(CNCC(O)C(F)F)s1.
What is the InChIKey of 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol?
The InChIKey is KNGCUQXKLYJIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2OS/c1-11(2,3)10-15-5-7(17-10)4-14-6-8(16)9(12)13/h5,8-9,14,16H,4,6H2,1-3H3.
What are the key properties of 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol?
3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol has a molecular weight of 264.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103731562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).