1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea

C16H18N4O2S — CID 119401684

IUPAC1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCNCC2)s1
InChIInChI=1S/C16H18N4O2S/c21-15(20-10-8-17-9-11-20)13-6-7-14(23-13)19-16(22)18-12-4-2-1-3-5-12/h1-7,17H,8-11H2,(H2,18,19,22)
InChIKeyZRHJRUBWRAFHPP-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.44
Rot. Bonds3

About 1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea

1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea (PubChem CID 119401684) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea.

Molecular Properties

Compound Name1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea
PubChem CID119401684
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCNCC2)s1
InChIInChI=1S/C16H18N4O2S/c21-15(20-10-8-17-9-11-20)13-6-7-14(23-13)19-16(22)18-12-4-2-1-3-5-12/h1-7,17H,8-11H2,(H2,18,19,22)
InChIKeyZRHJRUBWRAFHPP-UHFFFAOYSA-N
XLogP2.44
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea
CID 119374573
1-phenyl-3-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]urea
CID 78846884
6-[5-(phenylcarbamoylamino)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174428
1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride
CID 119518568
1-[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-3-phenylurea
CID 78849231
5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride
CID 119387776
1-[5-(2,3-dimethylpiperazine-1-carbonyl)thiophen-2-yl]-3-phenylurea;hydrochloride
CID 120573021
N-phenyl-1,4-diazepane-1-carboxamide;hydrochloride
CID 42886604
ethyl (2R)-1-[5-(phenylcarbamoylamino)thiophene-2-carbonyl]pyrrolidine-2-carboxylate
CID 97260222
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849662
N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide
CID 60705923
1-[5-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-3-phenylurea
CID 119418250

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea?
The IUPAC name of 1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea (CID 119401684) is 1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea.
What is the SMILES notation for 1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea?
The canonical SMILES for 1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea is O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCNCC2)s1.
What is the InChIKey of 1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea?
The InChIKey is ZRHJRUBWRAFHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c21-15(20-10-8-17-9-11-20)13-6-7-14(23-13)19-16(22)18-12-4-2-1-3-5-12/h1-7,17H,8-11H2,(H2,18,19,22).
What are the key properties of 1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea?
1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea has a molecular weight of 330.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea is sourced from PubChem (CID 119401684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).