N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C14H17N5OS — CID 43468985

IUPACN-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESNc1ccc(NC(=O)N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C14H17N5OS/c15-11-1-3-12(4-2-11)17-13(20)18-6-8-19(9-7-18)14-16-5-10-21-14/h1-5,10H,6-9,15H2,(H,17,20)
InChIKeyZFSGAUBGGKGWTK-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.08
Rot. Bonds2

About N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 43468985) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID43468985
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESNc1ccc(NC(=O)N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C14H17N5OS/c15-11-1-3-12(4-2-11)17-13(20)18-6-8-19(9-7-18)14-16-5-10-21-14/h1-5,10H,6-9,15H2,(H,17,20)
InChIKeyZFSGAUBGGKGWTK-UHFFFAOYSA-N
XLogP2.08
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108897073
N-(2,5-dichlorophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47031878
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 94148337
N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 74245239
ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate
CID 43445563
(3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 104740876
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
ethyl 4,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]thiophene-3-carboxylate
CID 31977270
(2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid
CID 61185673
(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103748970
2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 83634826

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 43468985) is N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is Nc1ccc(NC(=O)N2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is ZFSGAUBGGKGWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c15-11-1-3-12(4-2-11)17-13(20)18-6-8-19(9-7-18)14-16-5-10-21-14/h1-5,10H,6-9,15H2,(H,17,20).
What are the key properties of N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 43468985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).