N-(4-fluorophenyl)-2-(piperidin-4-ylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

C17H17FN4OS2 — CID 118618428

IUPACN-(4-fluorophenyl)-2-(piperidin-4-ylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(NC3CCNCC3)nc2s1
InChIInChI=1S/C17H17FN4OS2/c18-10-1-3-11(4-2-10)20-15(23)13-9-14-16(24-13)22-17(25-14)21-12-5-7-19-8-6-12/h1-4,9,12,19H,5-8H2,(H,20,23)(H,21,22)
InChIKeyPMAXRESFZFXPHJ-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.91
Rot. Bonds4

About N-(4-fluorophenyl)-2-(piperidin-4-ylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

N-(4-fluorophenyl)-2-(piperidin-4-ylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618428) has the molecular formula C17H17FN4OS2 and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(piperidin-4-ylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(piperidin-4-ylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618428
Molecular FormulaC17H17FN4OS2
Molecular Weight376.48 g/mol
Exact Mass376.08
IUPAC NameN-(4-fluorophenyl)-2-(piperidin-4-ylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(NC3CCNCC3)nc2s1
InChIInChI=1S/C17H17FN4OS2/c18-10-1-3-11(4-2-10)20-15(23)13-9-14-16(24-13)22-17(25-14)21-12-5-7-19-8-6-12/h1-4,9,12,19H,5-8H2,(H,20,23)(H,21,22)
InChIKeyPMAXRESFZFXPHJ-UHFFFAOYSA-N
XLogP3.91
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618374
2-(Dimethylamino)-3-(4-fluorophenyl)-N-(propan-2-YL)-3H-thieno[2,3-D]imidazole-5-carboxamide
CID 53200484
N-cyclopentyl-2-(dimethylamino)-3-(4-fluorophenyl)-3H-thieno[2,3-d]imidazole-5-carboxamide
CID 53200486
4-[2-(Diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazin-2-one
CID 56818542
1-isobutyryl-N-(3-methoxybenzyl)-3,3-dimethylindoline-5-sulfonamide
CID 50841047
2-anilino-N-(4,5-dihydro-1,3-thiazol-2-yl)thieno[3,2-d][1,3]thiazole-5-carboxamide
CID 4788896
2-(dimethylamino)-3-phenyl-N-(propan-2-yl)-3H-thieno[2,3-d]imidazole-5-carboxamide
CID 42957166
N-(3-Fluorophenyl)-2-(piperidin-1-YL)thieno[3,2-D][1,3]thiazole-5-carboxamide
CID 50841045
N-(4-Fluoro-3-methylphenyl)-2-(piperidin-1-YL)thieno[3,2-D][1,3]thiazole-5-carboxamide
CID 50841344
N-(4-Chloro-3-fluorophenyl)-2-(piperidin-1-YL)thieno[3,2-D][1,3]thiazole-5-carboxamide
CID 50841369
N-(4-Fluorophenyl)-2-(piperidin-1-YL)thieno[3,2-D][1,3]thiazole-5-carboxamide
CID 50841046
N-(3,4-Difluorophenyl)-2-(piperidin-1-YL)thieno[3,2-D][1,3]thiazole-5-carboxamide
CID 50841141

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(piperidin-4-ylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(piperidin-4-ylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618428) is N-(4-fluorophenyl)-2-(piperidin-4-ylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(piperidin-4-ylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(piperidin-4-ylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cc2sc(NC3CCNCC3)nc2s1.
What is the InChIKey of N-(4-fluorophenyl)-2-(piperidin-4-ylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is PMAXRESFZFXPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS2/c18-10-1-3-11(4-2-10)20-15(23)13-9-14-16(24-13)22-17(25-14)21-12-5-7-19-8-6-12/h1-4,9,12,19H,5-8H2,(H,20,23)(H,21,22).
What are the key properties of N-(4-fluorophenyl)-2-(piperidin-4-ylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(4-fluorophenyl)-2-(piperidin-4-ylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(piperidin-4-ylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).