(5R)-2-(4-chlorophenyl)imino-5-methyl-N-(2-phenylethyl)-1,3-thiazolidine-3-carbothioamide

C19H20ClN3S2 — CID 7873135

IUPAC(5R)-2-(4-chlorophenyl)imino-5-methyl-N-(2-phenylethyl)-1,3-thiazolidine-3-carbothioamide
SMILESC[C@@H]1CN(C(=S)NCCc2ccccc2)/C(=N/c2ccc(Cl)cc2)S1
InChIInChI=1S/C19H20ClN3S2/c1-14-13-23(18(24)21-12-11-15-5-3-2-4-6-15)19(25-14)22-17-9-7-16(20)8-10-17/h2-10,14H,11-13H2,1H3,(H,21,24)/b22-19-/t14-/m1/s1
InChIKeyWXXQXDMLDNPZES-CINSFREOSA-N
MW389.98 g/mol
LogP4.88
Rot. Bonds4

About (5R)-2-(4-chlorophenyl)imino-5-methyl-N-(2-phenylethyl)-1,3-thiazolidine-3-carbothioamide

(5R)-2-(4-chlorophenyl)imino-5-methyl-N-(2-phenylethyl)-1,3-thiazolidine-3-carbothioamide (PubChem CID 7873135) has the molecular formula C19H20ClN3S2 and a molecular weight of 389.98 g/mol. Its IUPAC name is (5R)-2-(4-chlorophenyl)imino-5-methyl-N-(2-phenylethyl)-1,3-thiazolidine-3-carbothioamide.

Molecular Properties

Compound Name(5R)-2-(4-chlorophenyl)imino-5-methyl-N-(2-phenylethyl)-1,3-thiazolidine-3-carbothioamide
PubChem CID7873135
Molecular FormulaC19H20ClN3S2
Molecular Weight389.98 g/mol
Exact Mass389.08
IUPAC Name(5R)-2-(4-chlorophenyl)imino-5-methyl-N-(2-phenylethyl)-1,3-thiazolidine-3-carbothioamide
SMILESC[C@@H]1CN(C(=S)NCCc2ccccc2)/C(=N/c2ccc(Cl)cc2)S1
InChIInChI=1S/C19H20ClN3S2/c1-14-13-23(18(24)21-12-11-15-5-3-2-4-6-15)19(25-14)22-17-9-7-16(20)8-10-17/h2-10,14H,11-13H2,1H3,(H,21,24)/b22-19-/t14-/m1/s1
InChIKeyWXXQXDMLDNPZES-CINSFREOSA-N
XLogP4.88
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.98
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-chlorophenyl)ethyl]-4-oxo-N-(2-phenylethyl)-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 4128751
2-(4-chlorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 4277202
2-(2-chloro-6-fluorophenyl)-1-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]ethanone
CID 7916524
N-[2-(4-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide
CID 20899617
4-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidine-3-carbonyl]benzonitrile
CID 7916517
1-(1-benzylpyrrolidin-3-yl)-3-[2-(4-chlorophenyl)ethyl]-1-ethylthiourea
CID 3771963
(E)-1-[(5R)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 7916558
(6S)-2-(4-iodophenyl)imino-3-methyl-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 1299584
N-(2-phenylethyl)thiomorpholine-4-carbothioamide
CID 3686189
2-(4-methoxyphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 5060945
N-(2-phenylethyl)ethanethioamide
CID 58678856
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113183699

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-chlorophenyl)imino-5-methyl-N-(2-phenylethyl)-1,3-thiazolidine-3-carbothioamide?
The IUPAC name of (5R)-2-(4-chlorophenyl)imino-5-methyl-N-(2-phenylethyl)-1,3-thiazolidine-3-carbothioamide (CID 7873135) is (5R)-2-(4-chlorophenyl)imino-5-methyl-N-(2-phenylethyl)-1,3-thiazolidine-3-carbothioamide.
What is the SMILES notation for (5R)-2-(4-chlorophenyl)imino-5-methyl-N-(2-phenylethyl)-1,3-thiazolidine-3-carbothioamide?
The canonical SMILES for (5R)-2-(4-chlorophenyl)imino-5-methyl-N-(2-phenylethyl)-1,3-thiazolidine-3-carbothioamide is C[C@@H]1CN(C(=S)NCCc2ccccc2)/C(=N/c2ccc(Cl)cc2)S1.
What is the InChIKey of (5R)-2-(4-chlorophenyl)imino-5-methyl-N-(2-phenylethyl)-1,3-thiazolidine-3-carbothioamide?
The InChIKey is WXXQXDMLDNPZES-CINSFREOSA-N. The full InChI is InChI=1S/C19H20ClN3S2/c1-14-13-23(18(24)21-12-11-15-5-3-2-4-6-15)19(25-14)22-17-9-7-16(20)8-10-17/h2-10,14H,11-13H2,1H3,(H,21,24)/b22-19-/t14-/m1/s1.
What are the key properties of (5R)-2-(4-chlorophenyl)imino-5-methyl-N-(2-phenylethyl)-1,3-thiazolidine-3-carbothioamide?
(5R)-2-(4-chlorophenyl)imino-5-methyl-N-(2-phenylethyl)-1,3-thiazolidine-3-carbothioamide has a molecular weight of 389.98 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-chlorophenyl)imino-5-methyl-N-(2-phenylethyl)-1,3-thiazolidine-3-carbothioamide is sourced from PubChem (CID 7873135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).