N-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide

C11H8F2N2O2S2 — CID 71612377

IUPACN-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1csc(=S)[nH]1
InChIInChI=1S/C11H8F2N2O2S2/c12-10(13)17-7-3-1-2-6(4-7)14-9(16)8-5-19-11(18)15-8/h1-5,10H,(H,14,16)(H,15,18)
InChIKeyAEXZGTMTLJYPGT-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.66
Rot. Bonds4

About N-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide

N-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide (PubChem CID 71612377) has the molecular formula C11H8F2N2O2S2 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide
PubChem CID71612377
Molecular FormulaC11H8F2N2O2S2
Molecular Weight302.33 g/mol
Exact Mass302.00
IUPAC NameN-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1csc(=S)[nH]1
InChIInChI=1S/C11H8F2N2O2S2/c12-10(13)17-7-3-1-2-6(4-7)14-9(16)8-5-19-11(18)15-8/h1-5,10H,(H,14,16)(H,15,18)
InChIKeyAEXZGTMTLJYPGT-UHFFFAOYSA-N
XLogP3.66
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide
CID 71612507
6-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 66463307
N-[3-(difluoromethoxy)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 55742418
[3-(difluoromethoxy)phenyl]thiourea
CID 51000160
N-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506292
N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide
CID 115497227
3-amino-4-chloro-N-[3-(difluoromethoxy)phenyl]benzamide
CID 43706007
N-[3-(difluoromethoxy)phenyl]-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509910
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338
N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide
CID 79782174
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119280792

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide (CID 71612377) is N-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide is O=C(Nc1cccc(OC(F)F)c1)c1csc(=S)[nH]1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide?
The InChIKey is AEXZGTMTLJYPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2S2/c12-10(13)17-7-3-1-2-6(4-7)14-9(16)8-5-19-11(18)15-8/h1-5,10H,(H,14,16)(H,15,18).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide?
N-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71612377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).