1-[4-[[4-[carbamothioyl(ethyl)amino]phenyl]methyl]phenyl]-1-ethylthiourea

C19H24N4S2 — CID 19693287

IUPAC1-[4-[[4-[carbamothioyl(ethyl)amino]phenyl]methyl]phenyl]-1-ethylthiourea
SMILESCCN(C(N)=S)c1ccc(Cc2ccc(N(CC)C(N)=S)cc2)cc1
InChIInChI=1S/C19H24N4S2/c1-3-22(18(20)24)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)23(4-2)19(21)25/h5-12H,3-4,13H2,1-2H3,(H2,20,24)(H2,21,25)
InChIKeyRPYPMACKHSVTBU-UHFFFAOYSA-N
MW372.56 g/mol
LogP3.42
Rot. Bonds6

About 1-[4-[[4-[carbamothioyl(ethyl)amino]phenyl]methyl]phenyl]-1-ethylthiourea

1-[4-[[4-[carbamothioyl(ethyl)amino]phenyl]methyl]phenyl]-1-ethylthiourea (PubChem CID 19693287) has the molecular formula C19H24N4S2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-[4-[[4-[carbamothioyl(ethyl)amino]phenyl]methyl]phenyl]-1-ethylthiourea.

Molecular Properties

Compound Name1-[4-[[4-[carbamothioyl(ethyl)amino]phenyl]methyl]phenyl]-1-ethylthiourea
PubChem CID19693287
Molecular FormulaC19H24N4S2
Molecular Weight372.56 g/mol
Exact Mass372.14
IUPAC Name1-[4-[[4-[carbamothioyl(ethyl)amino]phenyl]methyl]phenyl]-1-ethylthiourea
SMILESCCN(C(N)=S)c1ccc(Cc2ccc(N(CC)C(N)=S)cc2)cc1
InChIInChI=1S/C19H24N4S2/c1-3-22(18(20)24)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)23(4-2)19(21)25/h5-12H,3-4,13H2,1-2H3,(H2,20,24)(H2,21,25)
InChIKeyRPYPMACKHSVTBU-UHFFFAOYSA-N
XLogP3.42
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.42
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

CID 87591316
CID 87591316
1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea
CID 101304136
2-[4-[[4-(2-amino-2-sulfanylideneethyl)phenyl]methyl]phenyl]ethanethioamide
CID 147499539
N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide
CID 65019275
ethyl-(4-methylphenyl)carbamodithioic acid
CID 154283267
1-[4-(aminomethyl)phenyl]-1-methylthiourea
CID 174434735
4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
CID 57112514
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
1-(cyclopropylmethyl)-1-(4-methoxyphenyl)thiourea
CID 54541178
copper(1+);N-ethyl-N-phenylcarbamodithioate
CID 142768613
N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide
CID 39964862
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[carbamothioyl(ethyl)amino]phenyl]methyl]phenyl]-1-ethylthiourea?
The IUPAC name of 1-[4-[[4-[carbamothioyl(ethyl)amino]phenyl]methyl]phenyl]-1-ethylthiourea (CID 19693287) is 1-[4-[[4-[carbamothioyl(ethyl)amino]phenyl]methyl]phenyl]-1-ethylthiourea.
What is the SMILES notation for 1-[4-[[4-[carbamothioyl(ethyl)amino]phenyl]methyl]phenyl]-1-ethylthiourea?
The canonical SMILES for 1-[4-[[4-[carbamothioyl(ethyl)amino]phenyl]methyl]phenyl]-1-ethylthiourea is CCN(C(N)=S)c1ccc(Cc2ccc(N(CC)C(N)=S)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[carbamothioyl(ethyl)amino]phenyl]methyl]phenyl]-1-ethylthiourea?
The InChIKey is RPYPMACKHSVTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S2/c1-3-22(18(20)24)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)23(4-2)19(21)25/h5-12H,3-4,13H2,1-2H3,(H2,20,24)(H2,21,25).
What are the key properties of 1-[4-[[4-[carbamothioyl(ethyl)amino]phenyl]methyl]phenyl]-1-ethylthiourea?
1-[4-[[4-[carbamothioyl(ethyl)amino]phenyl]methyl]phenyl]-1-ethylthiourea has a molecular weight of 372.56 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[carbamothioyl(ethyl)amino]phenyl]methyl]phenyl]-1-ethylthiourea is sourced from PubChem (CID 19693287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).