(5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one

C15H13N5OS3 — CID 3113519

IUPAC(5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCc1nnc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2C)s1
InChIInChI=1S/C15H13N5OS3/c1-8-17-18-14(22-8)16-15-20(3)12(21)11(24-15)13-19(2)9-6-4-5-7-10(9)23-13/h4-7H,1-3H3/b13-11-,16-15?
InChIKeyMSVOZSDPLJXIDR-OQJZYDBASA-N
MW375.50 g/mol
LogP3.45
Rot. Bonds1

About (5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one

(5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one (PubChem CID 3113519) has the molecular formula C15H13N5OS3 and a molecular weight of 375.50 g/mol. Its IUPAC name is (5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
PubChem CID3113519
Molecular FormulaC15H13N5OS3
Molecular Weight375.50 g/mol
Exact Mass375.03
IUPAC Name(5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCc1nnc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2C)s1
InChIInChI=1S/C15H13N5OS3/c1-8-17-18-14(22-8)16-15-20(3)12(21)11(24-15)13-19(2)9-6-4-5-7-10(9)23-13/h4-7H,1-3H3/b13-11-,16-15?
InChIKeyMSVOZSDPLJXIDR-OQJZYDBASA-N
XLogP3.45
TPSA61.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

(2E,5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 9593214
2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 2535221
(5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 3113511
3-Methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 4011614
5-(5-Chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 4398068
(2Z,5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 5758777
(2Z,5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 5758778
(2E,5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 6089866

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one (CID 3113519) is (5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one is Cc1nnc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2C)s1.
What is the InChIKey of (5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The InChIKey is MSVOZSDPLJXIDR-OQJZYDBASA-N. The full InChI is InChI=1S/C15H13N5OS3/c1-8-17-18-14(22-8)16-15-20(3)12(21)11(24-15)13-19(2)9-6-4-5-7-10(9)23-13/h4-7H,1-3H3/b13-11-,16-15?.
What are the key properties of (5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
(5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one has a molecular weight of 375.50 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3113519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).