CID 147457228

C14H14AlF2N5S2 — CID 147457228

IUPAC—
SMILESCc1nnc(N2N=C(c3cc(F)ccc3F)SC2([Al])CCCN)s1
InChIInChI=1S/C14H14F2N5S2.Al/c1-8-18-19-14(22-8)21-12(3-2-6-17)23-13(20-21)10-7-9(15)4-5-11(10)16;/h4-5,7H,2-3,6,17H2,1H3;
InChIKeyCQAIPDKONUDPPB-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.60
Rot. Bonds5

About CID 147457228

CID 147457228 (PubChem CID 147457228) has the molecular formula C14H14AlF2N5S2 and a molecular weight of 381.41 g/mol.

Molecular Properties

Compound NameCID 147457228
PubChem CID147457228
Molecular FormulaC14H14AlF2N5S2
Molecular Weight381.41 g/mol
Exact Mass381.05
IUPAC Name—
SMILESCc1nnc(N2N=C(c3cc(F)ccc3F)SC2([Al])CCCN)s1
InChIInChI=1S/C14H14F2N5S2.Al/c1-8-18-19-14(22-8)21-12(3-2-6-17)23-13(20-21)10-7-9(15)4-5-11(10)16;/h4-5,7H,2-3,6,17H2,1H3;
InChIKeyCQAIPDKONUDPPB-UHFFFAOYSA-N
XLogP2.60
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethanol
CID 68502385
4-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]-N'-methoxybutanimidamide
CID 91303689
5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole
CID 68504134
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
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
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
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
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
CID 68507267
3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)propan-1-amine
CID 87573950
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-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

Frequently Asked Questions

What is the IUPAC name of CID 147457228?
The IUPAC name of CID 147457228 (CID 147457228) is not available.
What is the SMILES notation for CID 147457228?
The canonical SMILES for CID 147457228 is Cc1nnc(N2N=C(c3cc(F)ccc3F)SC2([Al])CCCN)s1.
What is the InChIKey of CID 147457228?
The InChIKey is CQAIPDKONUDPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N5S2.Al/c1-8-18-19-14(22-8)21-12(3-2-6-17)23-13(20-21)10-7-9(15)4-5-11(10)16;/h4-5,7H,2-3,6,17H2,1H3;.
What are the key properties of CID 147457228?
CID 147457228 has a molecular weight of 381.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147457228 is sourced from PubChem (CID 147457228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).