N-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide

C16H20N6O2S — CID 95394943

IUPACN-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1nncs1
InChIInChI=1S/C16H20N6O2S/c1-12(14(23)19-15-20-17-11-25-15)18-16(24)22-9-7-21(8-10-22)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,18,24)(H,19,20,23)/t12-/m1/s1
InChIKeyXDSQGIBMEOXDJH-GFCCVEGCSA-N
MW360.44 g/mol
LogP1.40
Rot. Bonds4

About N-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide

N-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide (PubChem CID 95394943) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
PubChem CID95394943
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC NameN-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1nncs1
InChIInChI=1S/C16H20N6O2S/c1-12(14(23)19-15-20-17-11-25-15)18-16(24)22-9-7-21(8-10-22)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,18,24)(H,19,20,23)/t12-/m1/s1
InChIKeyXDSQGIBMEOXDJH-GFCCVEGCSA-N
XLogP1.40
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395725
N-[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 53371206
N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395341
N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 96564267
N-[(2S)-1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52897814
ethyl 4-methyl-2-[[(2R)-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]amino]-1,3-thiazole-5-carboxylate
CID 95395733
N-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395003
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52902639
N-[(2S)-1-oxo-1-(3,4,5-trimethoxyanilino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829736
4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 53368702
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
N-[(2R)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95394965

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide (CID 95394943) is N-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide is C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1nncs1.
What is the InChIKey of N-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is XDSQGIBMEOXDJH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-12(14(23)19-15-20-17-11-25-15)18-16(24)22-9-7-21(8-10-22)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,18,24)(H,19,20,23)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide?
N-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 95394943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).