1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea

C18H21ClN4O2S — CID 44922318

IUPAC1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea
SMILESCC1CCCCN1C(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H21ClN4O2S/c1-12-4-2-3-9-23(12)16(24)10-15-11-26-18(21-15)22-17(25)20-14-7-5-13(19)6-8-14/h5-8,11-12H,2-4,9-10H2,1H3,(H2,20,21,22,25)
InChIKeyBBLKSLVEHRRCPD-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.38
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea

1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea (PubChem CID 44922318) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea
PubChem CID44922318
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC Name1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea
SMILESCC1CCCCN1C(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H21ClN4O2S/c1-12-4-2-3-9-23(12)16(24)10-15-11-26-18(21-15)22-17(25)20-14-7-5-13(19)6-8-14/h5-8,11-12H,2-4,9-10H2,1H3,(H2,20,21,22,25)
InChIKeyBBLKSLVEHRRCPD-UHFFFAOYSA-N
XLogP4.38
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea
CID 43996948
ethyl (3R)-1-[2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylate
CID 41211536
1-(4-fluorophenyl)-3-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 44922369
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18567598
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 26841633
1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea
CID 155968935
methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 43996922
N-cycloheptyl-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567701
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 18567591
N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 24537530
1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 41211525
1-cyclohexyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea
CID 41211603

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea (CID 44922318) is 1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea is CC1CCCCN1C(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea?
The InChIKey is BBLKSLVEHRRCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S/c1-12-4-2-3-9-23(12)16(24)10-15-11-26-18(21-15)22-17(25)20-14-7-5-13(19)6-8-14/h5-8,11-12H,2-4,9-10H2,1H3,(H2,20,21,22,25).
What are the key properties of 1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea?
1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea has a molecular weight of 392.91 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 44922318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).