1-(3-chloro-2-methylphenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiourea

C19H24ClN3OS2 — CID 16806613

IUPAC1-(3-chloro-2-methylphenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiourea
SMILESCc1c(Cl)cccc1NC(=S)NC(C)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C19H24ClN3OS2/c1-13-15(20)5-3-6-16(13)22-19(25)21-14(2)18(17-7-4-12-26-17)23-8-10-24-11-9-23/h3-7,12,14,18H,8-11H2,1-2H3,(H2,21,22,25)
InChIKeyKYVPUCRHAMYDNV-UHFFFAOYSA-N
MW410.01 g/mol
LogP4.46
Rot. Bonds5

About 1-(3-chloro-2-methylphenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiourea

1-(3-chloro-2-methylphenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiourea (PubChem CID 16806613) has the molecular formula C19H24ClN3OS2 and a molecular weight of 410.01 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiourea
PubChem CID16806613
Molecular FormulaC19H24ClN3OS2
Molecular Weight410.01 g/mol
Exact Mass409.10
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiourea
SMILESCc1c(Cl)cccc1NC(=S)NC(C)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C19H24ClN3OS2/c1-13-15(20)5-3-6-16(13)22-19(25)21-14(2)18(17-7-4-12-26-17)23-8-10-24-11-9-23/h3-7,12,14,18H,8-11H2,1-2H3,(H2,21,22,25)
InChIKeyKYVPUCRHAMYDNV-UHFFFAOYSA-N
XLogP4.46
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.01
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiourea
CID 3639893
1-(2-chlorophenyl)-3-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]thiourea
CID 2328183
1-(4-bromophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]thiourea
CID 30889189
1-(3-chloro-2-methylphenyl)-3-[(1S,2R)-1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]thiourea
CID 2149814
1-(2,4-dichlorophenyl)-3-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]thiourea
CID 2330877
1-(2,3-dimethylphenyl)-3-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiourea
CID 7086808
1-(2-methylphenyl)-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiourea
CID 16806617
1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea
CID 7111013
1-(3-chloro-2-methylphenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiourea
CID 8696315
2,2-dimethyl-N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]propanamide
CID 7110530
N-[(2-chlorophenyl)methyl]-N'-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide
CID 7110520
N-[(2-chlorophenyl)methyl]-N'-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)oxamide
CID 16806516

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiourea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiourea (CID 16806613) is 1-(3-chloro-2-methylphenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiourea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiourea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiourea is Cc1c(Cl)cccc1NC(=S)NC(C)C(c1cccs1)N1CCOCC1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiourea?
The InChIKey is KYVPUCRHAMYDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3OS2/c1-13-15(20)5-3-6-16(13)22-19(25)21-14(2)18(17-7-4-12-26-17)23-8-10-24-11-9-23/h3-7,12,14,18H,8-11H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiourea?
1-(3-chloro-2-methylphenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiourea has a molecular weight of 410.01 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiourea is sourced from PubChem (CID 16806613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).