4-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-pyrrol-2-yl)piperazine-1-carboxamide

C18H19N5OS — CID 141146335

IUPAC4-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-pyrrol-2-yl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1c1ccc[nH]1
InChIInChI=1S/C18H19N5OS/c19-17(24)23-10-9-22(11-16(23)14-7-4-8-20-14)18-21-15(12-25-18)13-5-2-1-3-6-13/h1-8,12,16,20H,9-11H2,(H2,19,24)
InChIKeyRZRFNBLCLWWPHP-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.08
Rot. Bonds3

About 4-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-pyrrol-2-yl)piperazine-1-carboxamide

4-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-pyrrol-2-yl)piperazine-1-carboxamide (PubChem CID 141146335) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-pyrrol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-pyrrol-2-yl)piperazine-1-carboxamide
PubChem CID141146335
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name4-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-pyrrol-2-yl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1c1ccc[nH]1
InChIInChI=1S/C18H19N5OS/c19-17(24)23-10-9-22(11-16(23)14-7-4-8-20-14)18-21-15(12-25-18)13-5-2-1-3-6-13/h1-8,12,16,20H,9-11H2,(H2,19,24)
InChIKeyRZRFNBLCLWWPHP-UHFFFAOYSA-N
XLogP3.08
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 4208594
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907711
2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 133371880
2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)morpholine
CID 129303181
N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 133278132
2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
CID 82167588
4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole
CID 163418785
methyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate
CID 154750161
2-(4-ethylpiperazin-1-yl)-4-phenyl-1,3-thiazole
CID 102103813
3-[2-(azepan-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 79156493
4-(4-phenyl-1,3-thiazol-2-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 68779561

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-pyrrol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-pyrrol-2-yl)piperazine-1-carboxamide (CID 141146335) is 4-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-pyrrol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-pyrrol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-pyrrol-2-yl)piperazine-1-carboxamide is NC(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1c1ccc[nH]1.
What is the InChIKey of 4-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-pyrrol-2-yl)piperazine-1-carboxamide?
The InChIKey is RZRFNBLCLWWPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c19-17(24)23-10-9-22(11-16(23)14-7-4-8-20-14)18-21-15(12-25-18)13-5-2-1-3-6-13/h1-8,12,16,20H,9-11H2,(H2,19,24).
What are the key properties of 4-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-pyrrol-2-yl)piperazine-1-carboxamide?
4-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-pyrrol-2-yl)piperazine-1-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-pyrrol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 141146335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).