1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea

C18H23ClN4OS — CID 43004993

IUPAC1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea
SMILESCN1CCN(C(CNC(=O)Nc2cccc(Cl)c2)c2cccs2)CC1
InChIInChI=1S/C18H23ClN4OS/c1-22-7-9-23(10-8-22)16(17-6-3-11-25-17)13-20-18(24)21-15-5-2-4-14(19)12-15/h2-6,11-12,16H,7-10,13H2,1H3,(H2,20,21,24)
InChIKeyZTRQUSVZZQEKGX-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.51
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea

1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea (PubChem CID 43004993) has the molecular formula C18H23ClN4OS and a molecular weight of 378.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea
PubChem CID43004993
Molecular FormulaC18H23ClN4OS
Molecular Weight378.93 g/mol
Exact Mass378.13
IUPAC Name1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea
SMILESCN1CCN(C(CNC(=O)Nc2cccc(Cl)c2)c2cccs2)CC1
InChIInChI=1S/C18H23ClN4OS/c1-22-7-9-23(10-8-22)16(17-6-3-11-25-17)13-20-18(24)21-15-5-2-4-14(19)12-15/h2-6,11-12,16H,7-10,13H2,1H3,(H2,20,21,24)
InChIKeyZTRQUSVZZQEKGX-UHFFFAOYSA-N
XLogP3.51
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea
CID 42951356
1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 112507265
N'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide
CID 41181024
1-(4-chlorophenyl)-3-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]urea
CID 7525919
1-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 47040363
1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-3-phenylurea
CID 7525915
N'-(3-chlorophenyl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30642833
3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34951917
1-(3-chlorophenyl)-3-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]urea
CID 7496603
1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea
CID 8701528
1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 30089001
1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 71685799

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea (CID 43004993) is 1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea is CN1CCN(C(CNC(=O)Nc2cccc(Cl)c2)c2cccs2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea?
The InChIKey is ZTRQUSVZZQEKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4OS/c1-22-7-9-23(10-8-22)16(17-6-3-11-25-17)13-20-18(24)21-15-5-2-4-14(19)12-15/h2-6,11-12,16H,7-10,13H2,1H3,(H2,20,21,24).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea?
1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea has a molecular weight of 378.93 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea is sourced from PubChem (CID 43004993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).