(4-fluoroanilino)-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)methanol

C17H18FN3OS2 — CID 167069112

IUPAC(4-fluoroanilino)-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)methanol
SMILESOC(Nc1ccc(F)cc1)c1cc2nc(N3CCCCC3)sc2s1
InChIInChI=1S/C17H18FN3OS2/c18-11-4-6-12(7-5-11)19-15(22)14-10-13-16(23-14)24-17(20-13)21-8-2-1-3-9-21/h4-7,10,15,19,22H,1-3,8-9H2
InChIKeyXQIWEHHBGOPXKY-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.59
Rot. Bonds4

About (4-fluoroanilino)-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)methanol

(4-fluoroanilino)-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)methanol (PubChem CID 167069112) has the molecular formula C17H18FN3OS2 and a molecular weight of 363.48 g/mol. Its IUPAC name is (4-fluoroanilino)-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-fluoroanilino)-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)methanol
PubChem CID167069112
Molecular FormulaC17H18FN3OS2
Molecular Weight363.48 g/mol
Exact Mass363.09
IUPAC Name(4-fluoroanilino)-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)methanol
SMILESOC(Nc1ccc(F)cc1)c1cc2nc(N3CCCCC3)sc2s1
InChIInChI=1S/C17H18FN3OS2/c18-11-4-6-12(7-5-11)19-15(22)14-10-13-16(23-14)24-17(20-13)21-8-2-1-3-9-21/h4-7,10,15,19,22H,1-3,8-9H2
InChIKeyXQIWEHHBGOPXKY-UHFFFAOYSA-N
XLogP4.59
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone
CID 159657618
2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone
CID 159134942
N-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
CID 118618312
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
CID 50841142
1-(4-fluorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea
CID 20885174
N'-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboximidamide
CID 155310989
N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 69168862
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-5-carboxamide
CID 118618806
2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 20889589
N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 46261514
2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxylic acid
CID 53212651
6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134

Frequently Asked Questions

What is the IUPAC name of (4-fluoroanilino)-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)methanol?
The IUPAC name of (4-fluoroanilino)-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)methanol (CID 167069112) is (4-fluoroanilino)-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)methanol.
What is the SMILES notation for (4-fluoroanilino)-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)methanol?
The canonical SMILES for (4-fluoroanilino)-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)methanol is OC(Nc1ccc(F)cc1)c1cc2nc(N3CCCCC3)sc2s1.
What is the InChIKey of (4-fluoroanilino)-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)methanol?
The InChIKey is XQIWEHHBGOPXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3OS2/c18-11-4-6-12(7-5-11)19-15(22)14-10-13-16(23-14)24-17(20-13)21-8-2-1-3-9-21/h4-7,10,15,19,22H,1-3,8-9H2.
What are the key properties of (4-fluoroanilino)-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)methanol?
(4-fluoroanilino)-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)methanol has a molecular weight of 363.48 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoroanilino)-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)methanol is sourced from PubChem (CID 167069112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).