2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide

C16H18N2O3S — CID 43978508

IUPAC2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
SMILESCn1/c(=N/C(=O)CC2CCCC2)sc2cc3c(cc21)OCO3
InChIInChI=1S/C16H18N2O3S/c1-18-11-7-12-13(21-9-20-12)8-14(11)22-16(18)17-15(19)6-10-4-2-3-5-10/h7-8,10H,2-6,9H2,1H3/b17-16-
InChIKeyWCUBMTZQIHVMHC-MSUUIHNZSA-N
MW318.40 g/mol
LogP2.98
Rot. Bonds2

About 2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide

2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide (PubChem CID 43978508) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
PubChem CID43978508
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
SMILESCn1/c(=N/C(=O)CC2CCCC2)sc2cc3c(cc21)OCO3
InChIInChI=1S/C16H18N2O3S/c1-18-11-7-12-13(21-9-20-12)8-14(11)22-16(18)17-15(19)6-10-4-2-3-5-10/h7-8,10H,2-6,9H2,1H3/b17-16-
InChIKeyWCUBMTZQIHVMHC-MSUUIHNZSA-N
XLogP2.98
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[6-(2-cyclopentylacetyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
CID 43940769
N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)cyclohexanecarboxamide
CID 42388070
N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-[methyl(methylsulfonyl)amino]acetamide
CID 43978594
2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide
CID 43943121
2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
CID 40700423
N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(3-methylphenoxy)acetamide
CID 43978526
ethyl 2-[6-(3-cyclohexylpropanoylimino)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
CID 43940771
5-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-carboxamide
CID 7154015
4-ethylsulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide
CID 7553245
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide
CID 43946963
(Z)-3-(1,3-benzodioxol-5-yl)-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)prop-2-enamide
CID 43978490
N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-propan-2-yloxybenzamide
CID 7154189

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide?
The IUPAC name of 2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide (CID 43978508) is 2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide?
The canonical SMILES for 2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide is Cn1/c(=N/C(=O)CC2CCCC2)sc2cc3c(cc21)OCO3.
What is the InChIKey of 2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide?
The InChIKey is WCUBMTZQIHVMHC-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-18-11-7-12-13(21-9-20-12)8-14(11)22-16(18)17-15(19)6-10-4-2-3-5-10/h7-8,10H,2-6,9H2,1H3/b17-16-.
What are the key properties of 2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide?
2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide has a molecular weight of 318.40 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide is sourced from PubChem (CID 43978508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).