3-[2-[5-(2,5-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine

C18H18F2N6S3 — CID 90269230

IUPAC3-[2-[5-(2,5-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCc1nnc(N2N=CSC2(CCCN)c2nc(C)sc2-c2cc(F)ccc2F)s1
InChIInChI=1S/C18H18F2N6S3/c1-10-23-16(15(28-10)13-8-12(19)4-5-14(13)20)18(6-3-7-21)26(22-9-27-18)17-25-24-11(2)29-17/h4-5,8-9H,3,6-7,21H2,1-2H3
InChIKeyOTDHNWLFERFWSB-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.65
Rot. Bonds6

About 3-[2-[5-(2,5-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine

3-[2-[5-(2,5-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (PubChem CID 90269230) has the molecular formula C18H18F2N6S3 and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-[2-[5-(2,5-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[5-(2,5-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
PubChem CID90269230
Molecular FormulaC18H18F2N6S3
Molecular Weight452.58 g/mol
Exact Mass452.07
IUPAC Name3-[2-[5-(2,5-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCc1nnc(N2N=CSC2(CCCN)c2nc(C)sc2-c2cc(F)ccc2F)s1
InChIInChI=1S/C18H18F2N6S3/c1-10-23-16(15(28-10)13-8-12(19)4-5-14(13)20)18(6-3-7-21)26(22-9-27-18)17-25-24-11(2)29-17/h4-5,8-9H,3,6-7,21H2,1-2H3
InChIKeyOTDHNWLFERFWSB-UHFFFAOYSA-N
XLogP4.65
TPSA80.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[2-[5-(2,5-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine with MolForge

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Related Compounds

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CID 147457228
3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 90269190
4-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]-N'-methoxybutanimidamide
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5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole
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1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propyl]-2,3-dimethylguanidine
CID 68785456
3-[5-(2-chloro-5-methylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 90269257
3-[5-(2,5-difluorophenyl)-2-(2-methylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]-1-(2-methylphenyl)propan-1-amine
CID 68507562
2-amino-N-[1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propylamino]-1-oxopropan-2-yl]propanamide
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N'-[2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethyl-methylamino]ethanimidamide
CID 68503309
N-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propyl]-3-(dimethylamino)propanamide
CID 68505728
3-[5-(2,5-difluorophenyl)-2-phenyl-3-pyrimidin-2-yl-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 68504837

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(2,5-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[2-[5-(2,5-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (CID 90269230) is 3-[2-[5-(2,5-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[2-[5-(2,5-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[2-[5-(2,5-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is Cc1nnc(N2N=CSC2(CCCN)c2nc(C)sc2-c2cc(F)ccc2F)s1.
What is the InChIKey of 3-[2-[5-(2,5-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The InChIKey is OTDHNWLFERFWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N6S3/c1-10-23-16(15(28-10)13-8-12(19)4-5-14(13)20)18(6-3-7-21)26(22-9-27-18)17-25-24-11(2)29-17/h4-5,8-9H,3,6-7,21H2,1-2H3.
What are the key properties of 3-[2-[5-(2,5-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
3-[2-[5-(2,5-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine has a molecular weight of 452.58 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(2,5-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 90269230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).