N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C15H14FN3OS2 — CID 4856859

IUPACN-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NN=C2CCSc3ccc(F)cc32)cs1
InChIInChI=1S/C15H14FN3OS2/c1-9-17-11(8-22-9)7-15(20)19-18-13-4-5-21-14-3-2-10(16)6-12(13)14/h2-3,6,8H,4-5,7H2,1H3,(H,19,20)
InChIKeyHDCSNSRNOAUUKZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.15
Rot. Bonds3

About N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 4856859) has the molecular formula C15H14FN3OS2 and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID4856859
Molecular FormulaC15H14FN3OS2
Molecular Weight335.43 g/mol
Exact Mass335.06
IUPAC NameN-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NN=C2CCSc3ccc(F)cc32)cs1
InChIInChI=1S/C15H14FN3OS2/c1-9-17-11(8-22-9)7-15(20)19-18-13-4-5-21-14-3-2-10(16)6-12(13)14/h2-3,6,8H,4-5,7H2,1H3,(H,19,20)
InChIKeyHDCSNSRNOAUUKZ-UHFFFAOYSA-N
XLogP3.15
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4040678
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide
CID 4541197
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4845594
2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide
CID 9467470
2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide
CID 9463824
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463828
N-[(E)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463762
N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31593146
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]acetamide
CID 3422858
N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9464108
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463662
N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463667

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 4856859) is N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NN=C2CCSc3ccc(F)cc32)cs1.
What is the InChIKey of N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is HDCSNSRNOAUUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS2/c1-9-17-11(8-22-9)7-15(20)19-18-13-4-5-21-14-3-2-10(16)6-12(13)14/h2-3,6,8H,4-5,7H2,1H3,(H,19,20).
What are the key properties of N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 335.43 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 4856859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).