4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide

C20H27FN6O2S — CID 53368702

IUPAC4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C(C)NC(=O)N2CCN(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C20H27FN6O2S/c1-13(2)12-17-24-25-19(30-17)23-18(28)14(3)22-20(29)27-10-8-26(9-11-27)16-6-4-15(21)5-7-16/h4-7,13-14H,8-12H2,1-3H3,(H,22,29)(H,23,25,28)
InChIKeyGVYMQQOMQOIWNF-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.73
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide

4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide (PubChem CID 53368702) has the molecular formula C20H27FN6O2S and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide
PubChem CID53368702
Molecular FormulaC20H27FN6O2S
Molecular Weight434.54 g/mol
Exact Mass434.19
IUPAC Name4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C(C)NC(=O)N2CCN(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C20H27FN6O2S/c1-13(2)12-17-24-25-19(30-17)23-18(28)14(3)22-20(29)27-10-8-26(9-11-27)16-6-4-15(21)5-7-16/h4-7,13-14H,8-12H2,1-3H3,(H,22,29)(H,23,25,28)
InChIKeyGVYMQQOMQOIWNF-UHFFFAOYSA-N
XLogP2.73
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 52900101
N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 53371058
N-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95394943
4-(4-fluorophenyl)-N-[1-oxo-1-(pyridin-3-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 53370495
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
CID 3389877
4-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 47000207
4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 95395325
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 52897953
N-[(2R)-1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 95395075
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide
CID 1402444
2-(4-fluorophenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 55978905
4-(4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 53370215

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide (CID 53368702) is 4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide is CC(C)Cc1nnc(NC(=O)C(C)NC(=O)N2CCN(c3ccc(F)cc3)CC2)s1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide?
The InChIKey is GVYMQQOMQOIWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN6O2S/c1-13(2)12-17-24-25-19(30-17)23-18(28)14(3)22-20(29)27-10-8-26(9-11-27)16-6-4-15(21)5-7-16/h4-7,13-14H,8-12H2,1-3H3,(H,22,29)(H,23,25,28).
What are the key properties of 4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide?
4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 53368702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).