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

C14H12FN3O2S2 — CID 144980264

IUPACN-(4-fluorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(NCCO)nc2s1
InChIInChI=1S/C14H12FN3O2S2/c15-8-1-3-9(4-2-8)17-12(20)10-7-11-13(21-10)18-14(22-11)16-5-6-19/h1-4,7,19H,5-6H2,(H,16,18)(H,17,20)
InChIKeyJLMSEBFHFCATQY-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.15
Rot. Bonds5

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

N-(4-fluorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 144980264) has the molecular formula C14H12FN3O2S2 and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID144980264
Molecular FormulaC14H12FN3O2S2
Molecular Weight337.40 g/mol
Exact Mass337.04
IUPAC NameN-(4-fluorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(NCCO)nc2s1
InChIInChI=1S/C14H12FN3O2S2/c15-8-1-3-9(4-2-8)17-12(20)10-7-11-13(21-10)18-14(22-11)16-5-6-19/h1-4,7,19H,5-6H2,(H,16,18)(H,17,20)
InChIKeyJLMSEBFHFCATQY-UHFFFAOYSA-N
XLogP3.15
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 155311034
2-[2-(2-hydroxyethylamino)ethylamino]-N-[4-(4-prop-2-ynoxyphenyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 155311414
N-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618429
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 140783698
2-[2-(4-chlorophenoxy)ethylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618353
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 140783713
N-(4-acetylphenyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 60522510
N-(4-methoxyphenyl)-2-propan-2-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618813
N-(4-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 5299224
2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 60525036
N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide
CID 45086782
2-(diethylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689236

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 144980264) is N-(4-fluorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cc2sc(NCCO)nc2s1.
What is the InChIKey of N-(4-fluorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is JLMSEBFHFCATQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S2/c15-8-1-3-9(4-2-8)17-12(20)10-7-11-13(21-10)18-14(22-11)16-5-6-19/h1-4,7,19H,5-6H2,(H,16,18)(H,17,20).
What are the key properties of N-(4-fluorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(4-fluorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 144980264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).