1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methylphenyl)thiourea

C20H24ClN3S — CID 8658658

IUPAC1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)NC[C@@H](c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C20H24ClN3S/c1-15-8-2-5-11-18(15)23-20(25)22-14-19(24-12-6-7-13-24)16-9-3-4-10-17(16)21/h2-5,8-11,19H,6-7,12-14H2,1H3,(H2,22,23,25)/t19-/m0/s1
InChIKeyQQANYZCOOXLXHL-IBGZPJMESA-N
MW373.95 g/mol
LogP4.77
Rot. Bonds5

About 1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methylphenyl)thiourea

1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methylphenyl)thiourea (PubChem CID 8658658) has the molecular formula C20H24ClN3S and a molecular weight of 373.95 g/mol. Its IUPAC name is 1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methylphenyl)thiourea
PubChem CID8658658
Molecular FormulaC20H24ClN3S
Molecular Weight373.95 g/mol
Exact Mass373.14
IUPAC Name1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)NC[C@@H](c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C20H24ClN3S/c1-15-8-2-5-11-18(15)23-20(25)22-14-19(24-12-6-7-13-24)16-9-3-4-10-17(16)21/h2-5,8-11,19H,6-7,12-14H2,1H3,(H2,22,23,25)/t19-/m0/s1
InChIKeyQQANYZCOOXLXHL-IBGZPJMESA-N
XLogP4.77
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.95
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]thiourea
CID 8657230
1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylphenyl)thiourea
CID 8683285
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea
CID 8629060
[(1S)-1-(2-chlorophenyl)-2-[(2,3-dimethylphenyl)carbamothioylamino]ethyl]-dimethylazanium
CID 8658749
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984684
N-[(2R)-2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)acetamide
CID 35043945
1-(3-chloro-4-methylphenyl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]thiourea
CID 8696918
methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 112504723
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 43843789
N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24638629
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 17013059
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 35043208

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methylphenyl)thiourea (CID 8658658) is 1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methylphenyl)thiourea is Cc1ccccc1NC(=S)NC[C@@H](c1ccccc1Cl)N1CCCC1.
What is the InChIKey of 1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methylphenyl)thiourea?
The InChIKey is QQANYZCOOXLXHL-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24ClN3S/c1-15-8-2-5-11-18(15)23-20(25)22-14-19(24-12-6-7-13-24)16-9-3-4-10-17(16)21/h2-5,8-11,19H,6-7,12-14H2,1H3,(H2,22,23,25)/t19-/m0/s1.
What are the key properties of 1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methylphenyl)thiourea?
1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methylphenyl)thiourea has a molecular weight of 373.95 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 8658658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).