1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylphenyl)thiourea

C19H25N3OS — CID 8683285

IUPAC1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)NC[C@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C19H25N3OS/c1-15-8-3-4-9-16(15)21-19(24)20-14-17(18-10-7-13-23-18)22-11-5-2-6-12-22/h3-4,7-10,13,17H,2,5-6,11-12,14H2,1H3,(H2,20,21,24)/t17-/m1/s1
InChIKeyLRIFQDUZRDPNCU-QGZVFWFLSA-N
MW343.50 g/mol
LogP4.10
Rot. Bonds5

About 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylphenyl)thiourea

1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylphenyl)thiourea (PubChem CID 8683285) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylphenyl)thiourea
PubChem CID8683285
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)NC[C@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C19H25N3OS/c1-15-8-3-4-9-16(15)21-19(24)20-14-17(18-10-7-13-23-18)22-11-5-2-6-12-22/h3-4,7-10,13,17H,2,5-6,11-12,14H2,1H3,(H2,20,21,24)/t17-/m1/s1
InChIKeyLRIFQDUZRDPNCU-QGZVFWFLSA-N
XLogP4.10
TPSA40.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylphenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea
CID 8683309
1-(2-methylphenyl)-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]thiourea
CID 8657230
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(2-methylphenyl)thiourea
CID 8628742
1-(3-bromophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea
CID 9235877
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 26834283
1-(3-chloro-4-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea
CID 8788006
1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 41013932
N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41130825
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea
CID 129420752

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylphenyl)thiourea (CID 8683285) is 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylphenyl)thiourea is Cc1ccccc1NC(=S)NC[C@H](c1ccco1)N1CCCCC1.
What is the InChIKey of 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylphenyl)thiourea?
The InChIKey is LRIFQDUZRDPNCU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-15-8-3-4-9-16(15)21-19(24)20-14-17(18-10-7-13-23-18)22-11-5-2-6-12-22/h3-4,7-10,13,17H,2,5-6,11-12,14H2,1H3,(H2,20,21,24)/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylphenyl)thiourea?
1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylphenyl)thiourea has a molecular weight of 343.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 8683285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).