N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide

C22H30N6O2S2 — CID 90163335

IUPACN-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
SMILESO=C(Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)C4CCCC4)s3)C2)s1)C1CCCC1
InChIInChI=1S/C22H30N6O2S2/c29-17(13-6-1-2-7-13)23-21-27-25-19(31-21)15-10-5-11-16(12-15)20-26-28-22(32-20)24-18(30)14-8-3-4-9-14/h13-16H,1-12H2,(H,23,27,29)(H,24,28,30)/t15-,16-/m0/s1
InChIKeyAVYRVOABTVGDEN-HOTGVXAUSA-N
MW474.66 g/mol
LogP5.09
Rot. Bonds6

About N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide

N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide (PubChem CID 90163335) has the molecular formula C22H30N6O2S2 and a molecular weight of 474.66 g/mol. Its IUPAC name is N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
PubChem CID90163335
Molecular FormulaC22H30N6O2S2
Molecular Weight474.66 g/mol
Exact Mass474.19
IUPAC NameN-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
SMILESO=C(Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)C4CCCC4)s3)C2)s1)C1CCCC1
InChIInChI=1S/C22H30N6O2S2/c29-17(13-6-1-2-7-13)23-21-27-25-19(31-21)15-10-5-11-16(12-15)20-26-28-22(32-20)24-18(30)14-8-3-4-9-14/h13-16H,1-12H2,(H,23,27,29)(H,24,28,30)/t15-,16-/m0/s1
InChIKeyAVYRVOABTVGDEN-HOTGVXAUSA-N
XLogP5.09
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.66
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide with MolForge

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Related Compounds

N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123932745
2-pyridin-4-yl-N-[5-[3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123473896
2-(4-ethylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-ethylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 118444073
2-[4-(aminomethyl)phenyl]-N-[5-[3-[5-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123984378
2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2932957
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide
CID 5190441
2-(2-aminophenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-aminophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163237
2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123350456
cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 841900
N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide
CID 167109788
N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 17203638
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152774

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide (CID 90163335) is N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide is O=C(Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)C4CCCC4)s3)C2)s1)C1CCCC1.
What is the InChIKey of N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide?
The InChIKey is AVYRVOABTVGDEN-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H30N6O2S2/c29-17(13-6-1-2-7-13)23-21-27-25-19(31-21)15-10-5-11-16(12-15)20-26-28-22(32-20)24-18(30)14-8-3-4-9-14/h13-16H,1-12H2,(H,23,27,29)(H,24,28,30)/t15-,16-/m0/s1.
What are the key properties of N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide?
N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 474.66 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 90163335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).