N-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;pyridine

C22H25FN4OS2 — CID 145285189

IUPACN-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;pyridine
SMILESFc1cc2c(cc1SNc1nccs1)OCCC2N1CCCCC1.c1ccncc1
InChIInChI=1S/C17H20FN3OS2.C5H5N/c18-13-10-12-14(21-6-2-1-3-7-21)4-8-22-15(12)11-16(13)24-20-17-19-5-9-23-17;1-2-4-6-5-3-1/h5,9-11,14H,1-4,6-8H2,(H,19,20);1-5H
InChIKeyQIMDJGFSURWBGO-UHFFFAOYSA-N
MW444.60 g/mol
LogP5.79
Rot. Bonds4

About N-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;pyridine

N-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;pyridine (PubChem CID 145285189) has the molecular formula C22H25FN4OS2 and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;pyridine.

Molecular Properties

Compound NameN-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;pyridine
PubChem CID145285189
Molecular FormulaC22H25FN4OS2
Molecular Weight444.60 g/mol
Exact Mass444.15
IUPAC NameN-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;pyridine
SMILESFc1cc2c(cc1SNc1nccs1)OCCC2N1CCCCC1.c1ccncc1
InChIInChI=1S/C17H20FN3OS2.C5H5N/c18-13-10-12-14(21-6-2-1-3-7-21)4-8-22-15(12)11-16(13)24-20-17-19-5-9-23-17;1-2-4-6-5-3-1/h5,9-11,14H,1-4,6-8H2,(H,19,20);1-5H
InChIKeyQIMDJGFSURWBGO-UHFFFAOYSA-N
XLogP5.79
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.60
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

fluoroform;N-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;1H-pyrazole
CID 145285260
benzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen
CID 145285646
N-[[(4S)-6-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfanyl]-1,3,4-thiadiazol-2-amine
CID 145285496
ethane;fluorobenzene;N-[[(4S)-6-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfanyl]-1,3,4-thiadiazol-2-amine
CID 145285495
1-[(4R)-6-fluoro-7-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine
CID 145285266
molecular hydrogen;(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;pyridine
CID 145285304
(4S)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfinamide
CID 145285485
ethane;fluorobenzene;(4S)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfinamide
CID 145285484
N-[5-chloro-2-fluoro-4-[(2-morpholin-4-yl-1-phenylethyl)amino]phenyl]sulfanyl-1,3-thiazol-2-amine
CID 134602247
N-[[4-(2,4-dichlorophenoxy)-3,4-dihydro-2H-chromen-7-yl]sulfanyl]-1,3-thiazol-2-amine
CID 144937206
N-[5-chloro-4-(1,4-dioxan-2-ylmethylamino)-2-fluorophenyl]sulfanyl-1,3-thiazol-2-amine
CID 166786014
N-[5-chloro-2-fluoro-4-(methylamino)phenyl]sulfanyl-1,3-thiazol-2-amine
CID 134477064

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;pyridine?
The IUPAC name of N-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;pyridine (CID 145285189) is N-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;pyridine.
What is the SMILES notation for N-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;pyridine?
The canonical SMILES for N-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;pyridine is Fc1cc2c(cc1SNc1nccs1)OCCC2N1CCCCC1.c1ccncc1.
What is the InChIKey of N-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;pyridine?
The InChIKey is QIMDJGFSURWBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS2.C5H5N/c18-13-10-12-14(21-6-2-1-3-7-21)4-8-22-15(12)11-16(13)24-20-17-19-5-9-23-17;1-2-4-6-5-3-1/h5,9-11,14H,1-4,6-8H2,(H,19,20);1-5H.
What are the key properties of N-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;pyridine?
N-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;pyridine has a molecular weight of 444.60 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;pyridine is sourced from PubChem (CID 145285189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).