1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride

C19H25ClN4O2S — CID 119518568

IUPAC1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride
SMILESCC(N)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CC1.Cl
InChIInChI=1S/C19H24N4O2S.ClH/c1-13(20)14-9-11-23(12-10-14)18(24)16-7-8-17(26-16)22-19(25)21-15-5-3-2-4-6-15;/h2-8,13-14H,9-12,20H2,1H3,(H2,21,22,25);1H
InChIKeyJQINWUIBOQEWEM-UHFFFAOYSA-N
MW408.96 g/mol
LogP4.01
Rot. Bonds4

About 1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride

1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride (PubChem CID 119518568) has the molecular formula C19H25ClN4O2S and a molecular weight of 408.96 g/mol. Its IUPAC name is 1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride.

Molecular Properties

Compound Name1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride
PubChem CID119518568
Molecular FormulaC19H25ClN4O2S
Molecular Weight408.96 g/mol
Exact Mass408.14
IUPAC Name1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride
SMILESCC(N)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CC1.Cl
InChIInChI=1S/C19H24N4O2S.ClH/c1-13(20)14-9-11-23(12-10-14)18(24)16-7-8-17(26-16)22-19(25)21-15-5-3-2-4-6-15;/h2-8,13-14H,9-12,20H2,1H3,(H2,21,22,25);1H
InChIKeyJQINWUIBOQEWEM-UHFFFAOYSA-N
XLogP4.01
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.96
LogP ≤ 54.01
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-(piperazine-1-carbonyl)thiophen-2-yl]urea
CID 119401684
[4-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone;hydrochloride
CID 119520055
1-[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-3-phenylurea
CID 78849231
6-[5-(phenylcarbamoylamino)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174428
1-phenyl-3-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]urea
CID 78846884
ethyl (2R)-1-[5-(phenylcarbamoylamino)thiophene-2-carbonyl]pyrrolidine-2-carboxylate
CID 97260222
[4-(1-aminoethyl)piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone;hydrochloride
CID 119520582
1-[5-(2,3-dimethylpiperazine-1-carbonyl)thiophen-2-yl]-3-phenylurea;hydrochloride
CID 120573021
[4-(1-aminoethyl)piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 55217648
5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 78846553
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849662

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride?
The IUPAC name of 1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride (CID 119518568) is 1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride.
What is the SMILES notation for 1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride?
The canonical SMILES for 1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride is CC(N)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CC1.Cl.
What is the InChIKey of 1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride?
The InChIKey is JQINWUIBOQEWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S.ClH/c1-13(20)14-9-11-23(12-10-14)18(24)16-7-8-17(26-16)22-19(25)21-15-5-3-2-4-6-15;/h2-8,13-14H,9-12,20H2,1H3,(H2,21,22,25);1H.
What are the key properties of 1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride?
1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride has a molecular weight of 408.96 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride is sourced from PubChem (CID 119518568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).