1-[4-[4-[5-[[(1R)-1-phenylpropoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

C28H25N3O4S — CID 144533999

IUPAC1-[4-[4-[5-[[(1R)-1-phenylpropoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCC[C@@H](OC(=O)Nc1snnc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)c1ccccc1
InChIInChI=1S/C28H25N3O4S/c1-2-23(20-6-4-3-5-7-20)35-27(34)29-25-24(30-31-36-25)21-10-8-18(9-11-21)19-12-14-22(15-13-19)28(16-17-28)26(32)33/h3-15,23H,2,16-17H2,1H3,(H,29,34)(H,32,33)/t23-/m1/s1
InChIKeyFAORNTHUSGAYPZ-HSZRJFAPSA-N
MW499.59 g/mol
LogP6.69
Rot. Bonds8

About 1-[4-[4-[5-[[(1R)-1-phenylpropoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

1-[4-[4-[5-[[(1R)-1-phenylpropoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 144533999) has the molecular formula C28H25N3O4S and a molecular weight of 499.59 g/mol. Its IUPAC name is 1-[4-[4-[5-[[(1R)-1-phenylpropoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-[5-[[(1R)-1-phenylpropoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID144533999
Molecular FormulaC28H25N3O4S
Molecular Weight499.59 g/mol
Exact Mass499.16
IUPAC Name1-[4-[4-[5-[[(1R)-1-phenylpropoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCC[C@@H](OC(=O)Nc1snnc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)c1ccccc1
InChIInChI=1S/C28H25N3O4S/c1-2-23(20-6-4-3-5-7-20)35-27(34)29-25-24(30-31-36-25)21-10-8-18(9-11-21)19-12-14-22(15-13-19)28(16-17-28)26(32)33/h3-15,23H,2,16-17H2,1H3,(H,29,34)(H,32,33)/t23-/m1/s1
InChIKeyFAORNTHUSGAYPZ-HSZRJFAPSA-N
XLogP6.69
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.59
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[5-[[(1R)-1-phenylpropoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

1-[4-[4-[5-[[(1R)-1-phenylethoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 89449096
1-[4-[4-[5-(1-phenylethoxycarbonylamino)thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71266635
1-[4-[4-[4-(1-phenylethoxycarbonylamino)pyridazin-3-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71266217
1-[4-[4-[5-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-thiazol-3-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71266733
1-[4-[4-[5-(1-phenylethoxycarbonylamino)-1,2,4-triazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71266846
1-[4-[4-[5-(1-phenylethoxycarbonylamino)tetrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71265955
1-[4-[4-[3-ethyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66660644
1-[4-[4-[5-[[(2R)-butan-2-yl]oxycarbonylamino]-1-methylpyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71462859
methyl 1-[4-[4-(5-formyloxythiadiazol-4-yl)phenyl]phenyl]cyclopropane-1-carboxylate
CID 89449094
1-[4-[4-[7-ethoxycarbonyl-3-(1-phenylethoxycarbonylamino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 123785785
1-[4-[4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-3-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 70856566
1-[4-[4-[3-(1-phenylethoxycarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 78057625

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[5-[[(1R)-1-phenylpropoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[4-[5-[[(1R)-1-phenylpropoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 144533999) is 1-[4-[4-[5-[[(1R)-1-phenylpropoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[4-[5-[[(1R)-1-phenylpropoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[4-[5-[[(1R)-1-phenylpropoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is CC[C@@H](OC(=O)Nc1snnc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)c1ccccc1.
What is the InChIKey of 1-[4-[4-[5-[[(1R)-1-phenylpropoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is FAORNTHUSGAYPZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H25N3O4S/c1-2-23(20-6-4-3-5-7-20)35-27(34)29-25-24(30-31-36-25)21-10-8-18(9-11-21)19-12-14-22(15-13-19)28(16-17-28)26(32)33/h3-15,23H,2,16-17H2,1H3,(H,29,34)(H,32,33)/t23-/m1/s1.
What are the key properties of 1-[4-[4-[5-[[(1R)-1-phenylpropoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[4-[5-[[(1R)-1-phenylpropoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 499.59 g/mol, XLogP of 6.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[5-[[(1R)-1-phenylpropoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 144533999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).