N-(3,3-difluoro-2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide

C10H14F2N2O2S2 — CID 103769889

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCc1nc(CSCC(=O)NCC(O)C(F)F)cs1
InChIInChI=1S/C10H14F2N2O2S2/c1-6-14-7(4-18-6)3-17-5-9(16)13-2-8(15)10(11)12/h4,8,10,15H,2-3,5H2,1H3,(H,13,16)
InChIKeyMUSIJIKLOWSEKL-UHFFFAOYSA-N
MW296.36 g/mol
LogP1.43
Rot. Bonds7

About N-(3,3-difluoro-2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide

N-(3,3-difluoro-2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (PubChem CID 103769889) has the molecular formula C10H14F2N2O2S2 and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
PubChem CID103769889
Molecular FormulaC10H14F2N2O2S2
Molecular Weight296.36 g/mol
Exact Mass296.05
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCc1nc(CSCC(=O)NCC(O)C(F)F)cs1
InChIInChI=1S/C10H14F2N2O2S2/c1-6-14-7(4-18-6)3-17-5-9(16)13-2-8(15)10(11)12/h4,8,10,15H,2-3,5H2,1H3,(H,13,16)
InChIKeyMUSIJIKLOWSEKL-UHFFFAOYSA-N
XLogP1.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 45887787
2-[2-hydroxyethyl(methyl)amino]-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 99940736
2,2,2-trifluoro-N-[2-(4-methyl-thiazol-2-yl)-ethyl]-acetamide
CID 39072071
2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 150435920
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823587
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethoxy)acetamide
CID 45835491
3,3,3-trifluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51079870
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943799
(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943800
1,1,1-Trifluoro-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 61529784
2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63095053
1,1,1-Trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63902096

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (CID 103769889) is N-(3,3-difluoro-2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is Cc1nc(CSCC(=O)NCC(O)C(F)F)cs1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is MUSIJIKLOWSEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S2/c1-6-14-7(4-18-6)3-17-5-9(16)13-2-8(15)10(11)12/h4,8,10,15H,2-3,5H2,1H3,(H,13,16).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 296.36 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 103769889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).