N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C17H21N7O2S — CID 51053799

IUPACN-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCN(c2ccccn2)CC1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C17H21N7O2S/c25-14(20-16-22-21-15(27-16)12-4-5-12)11-19-17(26)24-9-7-23(8-10-24)13-3-1-2-6-18-13/h1-3,6,12H,4-5,7-11H2,(H,19,26)(H,20,22,25)
InChIKeyGHGHGCMHDVIUAQ-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.28
Rot. Bonds5

About N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 51053799) has the molecular formula C17H21N7O2S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID51053799
Molecular FormulaC17H21N7O2S
Molecular Weight387.47 g/mol
Exact Mass387.15
IUPAC NameN-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCN(c2ccccn2)CC1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C17H21N7O2S/c25-14(20-16-22-21-15(27-16)12-4-5-12)11-19-17(26)24-9-7-23(8-10-24)13-3-1-2-6-18-13/h1-3,6,12H,4-5,7-11H2,(H,19,26)(H,20,22,25)
InChIKeyGHGHGCMHDVIUAQ-UHFFFAOYSA-N
XLogP1.28
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide with MolForge

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Related Compounds

N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51053879
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 1396983
2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole
CID 133366189
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide
CID 55816993
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3568652
4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide
CID 138994397
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47148349
(2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 107838022
N-[(2-methoxyphenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108892372
N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51642051
2-[[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]methyl]benzoic acid
CID 154843508

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 51053799) is N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(CNC(=O)N1CCN(c2ccccn2)CC1)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is GHGHGCMHDVIUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2S/c25-14(20-16-22-21-15(27-16)12-4-5-12)11-19-17(26)24-9-7-23(8-10-24)13-3-1-2-6-18-13/h1-3,6,12H,4-5,7-11H2,(H,19,26)(H,20,22,25).
What are the key properties of N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 51053799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).