N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide

C19H14ClN3O3S2 — CID 35721990

IUPACN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C19H14ClN3O3S2/c20-15-8-7-14(28-15)13-10-27-19(21-13)22-16(24)6-3-9-23-17(25)11-4-1-2-5-12(11)18(23)26/h1-2,4-5,7-8,10H,3,6,9H2,(H,21,22,24)
InChIKeyQABWLCDGTUMAMU-UHFFFAOYSA-N
MW431.93 g/mol
LogP4.54
Rot. Bonds6

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 35721990) has the molecular formula C19H14ClN3O3S2 and a molecular weight of 431.93 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID35721990
Molecular FormulaC19H14ClN3O3S2
Molecular Weight431.93 g/mol
Exact Mass431.02
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C19H14ClN3O3S2/c20-15-8-7-14(28-15)13-10-27-19(21-13)22-16(24)6-3-9-23-17(25)11-4-1-2-5-12(11)18(23)26/h1-2,4-5,7-8,10H,3,6,9H2,(H,21,22,24)
InChIKeyQABWLCDGTUMAMU-UHFFFAOYSA-N
XLogP4.54
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4791353
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 24593449
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4791355
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 7719954
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 19197319
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide
CID 39072716
4-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 108742114
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 719768
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 4968210
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 24597201
N-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 39754241
3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 2444908

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 35721990) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is QABWLCDGTUMAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3S2/c20-15-8-7-14(28-15)13-10-27-19(21-13)22-16(24)6-3-9-23-17(25)11-4-1-2-5-12(11)18(23)26/h1-2,4-5,7-8,10H,3,6,9H2,(H,21,22,24).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 431.93 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 35721990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).