(2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide

C19H22ClN3O2S — CID 142246636

IUPAC(2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)/C=C1\S/C(=N\c2c(C)cccc2Cl)NC1=O
InChIInChI=1S/C19H22ClN3O2S/c1-3-9-23(11-13-7-8-13)16(24)10-15-18(25)22-19(26-15)21-17-12(2)5-4-6-14(17)20/h4-6,10,13H,3,7-9,11H2,1-2H3,(H,21,22,25)/b15-10-
InChIKeyJMEKDPXNSJJGDF-GDNBJRDFSA-N
MW391.92 g/mol
LogP4.03
Rot. Bonds6

About (2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide

(2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide (PubChem CID 142246636) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is (2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide.

Molecular Properties

Compound Name(2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide
PubChem CID142246636
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name(2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)/C=C1\S/C(=N\c2c(C)cccc2Cl)NC1=O
InChIInChI=1S/C19H22ClN3O2S/c1-3-9-23(11-13-7-8-13)16(24)10-15-18(25)22-19(26-15)21-17-12(2)5-4-6-14(17)20/h4-6,10,13H,3,7-9,11H2,1-2H3,(H,21,22,25)/b15-10-
InChIKeyJMEKDPXNSJJGDF-GDNBJRDFSA-N
XLogP4.03
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide
CID 135457050
(5E)-5-[(3-chlorophenyl)methylidene]-2-(2,6-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135841124
(5E)-5-[(3-chloro-4,5-dihydroxyphenyl)methylidene]-2-(2,6-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135717690
(2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-methylacetamide;(1E,3Z,5Z)-1-ethoxycycloocta-1,3,5-triene
CID 142246617
2,6-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702520
2-(3-chloro-2-methylphenyl)imino-5-[(2-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135504855
3-[[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-4-methylbenzoic acid
CID 135634697
5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 136600364
(5Z)-2-(2,6-dimethylphenyl)imino-5-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135841157
(5E)-2-(3-chloro-2-methylphenyl)imino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135708558
(5E)-2-(2,3-dichlorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 135539299
(5Z)-5-[(2-chlorophenyl)methylidene]-2-(3,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135602956

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide?
The IUPAC name of (2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide (CID 142246636) is (2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide.
What is the SMILES notation for (2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide?
The canonical SMILES for (2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide is CCCN(CC1CC1)C(=O)/C=C1\S/C(=N\c2c(C)cccc2Cl)NC1=O.
What is the InChIKey of (2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide?
The InChIKey is JMEKDPXNSJJGDF-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-3-9-23(11-13-7-8-13)16(24)10-15-18(25)22-19(26-15)21-17-12(2)5-4-6-14(17)20/h4-6,10,13H,3,7-9,11H2,1-2H3,(H,21,22,25)/b15-10-.
What are the key properties of (2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide?
(2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide has a molecular weight of 391.92 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide is sourced from PubChem (CID 142246636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).