N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C16H14FN3OS2 — CID 9266743

IUPACN-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)N[C@@H]1CCSc2ccc(F)cc21
InChIInChI=1S/C16H14FN3OS2/c17-10-1-2-14-12(7-10)13(3-5-22-14)19-15(21)8-11-9-20-4-6-23-16(20)18-11/h1-2,4,6-7,9,13H,3,5,8H2,(H,19,21)/t13-/m1/s1
InChIKeyMVSBLKUVDUJJKO-CYBMUJFWSA-N
MW347.44 g/mol
LogP3.43
Rot. Bonds3

About N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 9266743) has the molecular formula C16H14FN3OS2 and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID9266743
Molecular FormulaC16H14FN3OS2
Molecular Weight347.44 g/mol
Exact Mass347.06
IUPAC NameN-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)N[C@@H]1CCSc2ccc(F)cc21
InChIInChI=1S/C16H14FN3OS2/c17-10-1-2-14-12(7-10)13(3-5-22-14)19-15(21)8-11-9-20-4-6-23-16(20)18-11/h1-2,4,6-7,9,13H,3,5,8H2,(H,19,21)/t13-/m1/s1
InChIKeyMVSBLKUVDUJJKO-CYBMUJFWSA-N
XLogP3.43
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide
CID 47121348
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-hydroxyphenyl)acetamide
CID 78820326
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide
CID 47121350
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide
CID 51307065
N'-(2,4-difluorophenyl)sulfonyl-2-imidazo[2,1-b][1,3]thiazol-6-ylacetohydrazide
CID 8505191
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 24643566
3-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 60837944
2-(1-aminocyclobutyl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 79852067
5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide
CID 17411234
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-propan-2-yloxyacetamide
CID 47411869
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide
CID 26468672

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 9266743) is N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is O=C(Cc1cn2ccsc2n1)N[C@@H]1CCSc2ccc(F)cc21.
What is the InChIKey of N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is MVSBLKUVDUJJKO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14FN3OS2/c17-10-1-2-14-12(7-10)13(3-5-22-14)19-15(21)8-11-9-20-4-6-23-16(20)18-11/h1-2,4,6-7,9,13H,3,5,8H2,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 347.44 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 9266743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).