N-[3-[(2,4-difluorophenyl)methyl]-1,2-thiazol-5-yl]-N-sulfanylformamide

C11H8F2N2OS2 — CID 174874736

IUPACN-[3-[(2,4-difluorophenyl)methyl]-1,2-thiazol-5-yl]-N-sulfanylformamide
SMILESO=CN(S)c1cc(Cc2ccc(F)cc2F)ns1
InChIInChI=1S/C11H8F2N2OS2/c12-8-2-1-7(10(13)4-8)3-9-5-11(18-14-9)15(17)6-16/h1-2,4-6,17H,3H2
InChIKeyRJUJZXXVBOXGAG-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.82
Rot. Bonds4

About N-[3-[(2,4-difluorophenyl)methyl]-1,2-thiazol-5-yl]-N-sulfanylformamide

N-[3-[(2,4-difluorophenyl)methyl]-1,2-thiazol-5-yl]-N-sulfanylformamide (PubChem CID 174874736) has the molecular formula C11H8F2N2OS2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[3-[(2,4-difluorophenyl)methyl]-1,2-thiazol-5-yl]-N-sulfanylformamide.

Molecular Properties

Compound NameN-[3-[(2,4-difluorophenyl)methyl]-1,2-thiazol-5-yl]-N-sulfanylformamide
PubChem CID174874736
Molecular FormulaC11H8F2N2OS2
Molecular Weight286.33 g/mol
Exact Mass286.00
IUPAC NameN-[3-[(2,4-difluorophenyl)methyl]-1,2-thiazol-5-yl]-N-sulfanylformamide
SMILESO=CN(S)c1cc(Cc2ccc(F)cc2F)ns1
InChIInChI=1S/C11H8F2N2OS2/c12-8-2-1-7(10(13)4-8)3-9-5-11(18-14-9)15(17)6-16/h1-2,4-6,17H,3H2
InChIKeyRJUJZXXVBOXGAG-UHFFFAOYSA-N
XLogP2.82
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 64560024
N-[(2,4-difluorophenyl)methyl]-N-methylformamide
CID 64990427
3-[(2,4-difluorophenyl)methyl]thiophene-2-carbaldehyde
CID 131497573
[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 82054678
1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79495143
[2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 64559869
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole
CID 90396878
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
2-[carboxymethyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 63645803
N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline
CID 55118690

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,4-difluorophenyl)methyl]-1,2-thiazol-5-yl]-N-sulfanylformamide?
The IUPAC name of N-[3-[(2,4-difluorophenyl)methyl]-1,2-thiazol-5-yl]-N-sulfanylformamide (CID 174874736) is N-[3-[(2,4-difluorophenyl)methyl]-1,2-thiazol-5-yl]-N-sulfanylformamide.
What is the SMILES notation for N-[3-[(2,4-difluorophenyl)methyl]-1,2-thiazol-5-yl]-N-sulfanylformamide?
The canonical SMILES for N-[3-[(2,4-difluorophenyl)methyl]-1,2-thiazol-5-yl]-N-sulfanylformamide is O=CN(S)c1cc(Cc2ccc(F)cc2F)ns1.
What is the InChIKey of N-[3-[(2,4-difluorophenyl)methyl]-1,2-thiazol-5-yl]-N-sulfanylformamide?
The InChIKey is RJUJZXXVBOXGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2OS2/c12-8-2-1-7(10(13)4-8)3-9-5-11(18-14-9)15(17)6-16/h1-2,4-6,17H,3H2.
What are the key properties of N-[3-[(2,4-difluorophenyl)methyl]-1,2-thiazol-5-yl]-N-sulfanylformamide?
N-[3-[(2,4-difluorophenyl)methyl]-1,2-thiazol-5-yl]-N-sulfanylformamide has a molecular weight of 286.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,4-difluorophenyl)methyl]-1,2-thiazol-5-yl]-N-sulfanylformamide is sourced from PubChem (CID 174874736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).