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

C11H18F2N2OS — CID 104857684

IUPAC3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCC(C)(C)c1nc(CNCC(F)(F)CO)cs1
InChIInChI=1S/C11H18F2N2OS/c1-10(2,3)9-15-8(5-17-9)4-14-6-11(12,13)7-16/h5,14,16H,4,6-7H2,1-3H3
InChIKeyYCUZPGJNZHNQHJ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.16
Rot. Bonds5

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

3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 104857684) 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-4-yl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID104857684
Molecular FormulaC11H18F2N2OS
Molecular Weight264.34 g/mol
Exact Mass264.11
IUPAC Name3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCC(C)(C)c1nc(CNCC(F)(F)CO)cs1
InChIInChI=1S/C11H18F2N2OS/c1-10(2,3)9-15-8(5-17-9)4-14-6-11(12,13)7-16/h5,14,16H,4,6-7H2,1-3H3
InChIKeyYCUZPGJNZHNQHJ-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

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664412
6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol
CID 103924140
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625161
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 115614174
2-bromo-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]prop-2-en-1-amine
CID 115614724
2,2,2-trifluoro-N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 113461233
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 115629587
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide
CID 47285247
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 115603242
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]benzoic acid
CID 120509449
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 113362922

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,2-difluoropropan-1-ol (CID 104857684) is 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,2-difluoropropan-1-ol is CC(C)(C)c1nc(CNCC(F)(F)CO)cs1.
What is the InChIKey of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is YCUZPGJNZHNQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2OS/c1-10(2,3)9-15-8(5-17-9)4-14-6-11(12,13)7-16/h5,14,16H,4,6-7H2,1-3H3.
What are the key properties of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,2-difluoropropan-1-ol?
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,2-difluoropropan-1-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-4-yl)methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104857684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).