3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2,2-difluoropropan-1-ol

C9H14F2N2OS — CID 106176425

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCc1nc(CNCC(F)(F)CO)sc1C
InChIInChI=1S/C9H14F2N2OS/c1-6-7(2)15-8(13-6)3-12-4-9(10,11)5-14/h12,14H,3-5H2,1-2H3
InChIKeyMVICLGCBKVTMMB-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.48
Rot. Bonds5

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2,2-difluoropropan-1-ol

3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 106176425) has the molecular formula C9H14F2N2OS and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID106176425
Molecular FormulaC9H14F2N2OS
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCc1nc(CNCC(F)(F)CO)sc1C
InChIInChI=1S/C9H14F2N2OS/c1-6-7(2)15-8(13-6)3-12-4-9(10,11)5-14/h12,14H,3-5H2,1-2H3
InChIKeyMVICLGCBKVTMMB-UHFFFAOYSA-N
XLogP1.48
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 106841669
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 178190269
2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 106176518
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115567823
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113259255
2,2-difluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol
CID 106176448
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 83176829
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857684
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 71867529
3-bromo-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110091
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one
CID 65168530
1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol
CID 112575426

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2,2-difluoropropan-1-ol (CID 106176425) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2,2-difluoropropan-1-ol is Cc1nc(CNCC(F)(F)CO)sc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is MVICLGCBKVTMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2OS/c1-6-7(2)15-8(13-6)3-12-4-9(10,11)5-14/h12,14H,3-5H2,1-2H3.
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2,2-difluoropropan-1-ol?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2,2-difluoropropan-1-ol has a molecular weight of 236.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106176425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).