N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide

C15H20N2OS — CID 7540608

IUPACN-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCCn1/c(=N/C(C)=O)sc2cc(C(C)C)ccc21
InChIInChI=1S/C15H20N2OS/c1-5-8-17-13-7-6-12(10(2)3)9-14(13)19-15(17)16-11(4)18/h6-7,9-10H,5,8H2,1-4H3/b16-15-
InChIKeyLKMLVOABQRTRGE-NXVVXOECSA-N
MW276.40 g/mol
LogP3.68
Rot. Bonds3

About N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide

N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 7540608) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound NameN-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID7540608
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCCn1/c(=N/C(C)=O)sc2cc(C(C)C)ccc21
InChIInChI=1S/C15H20N2OS/c1-5-8-17-13-7-6-12(10(2)3)9-14(13)19-15(17)16-11(4)18/h6-7,9-10H,5,8H2,1-4H3/b16-15-
InChIKeyLKMLVOABQRTRGE-NXVVXOECSA-N
XLogP3.68
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-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

4-acetyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984224
N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984193
N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 43984213
N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540616
4-(dimethylamino)-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984292
N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540796
4-benzyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984270
N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540732
3-(4-chlorophenyl)sulfonyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide
CID 43984334
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984319
4-acetyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984091
4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984720

Frequently Asked Questions

What is the IUPAC name of N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide (CID 7540608) is N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide is CCCn1/c(=N/C(C)=O)sc2cc(C(C)C)ccc21.
What is the InChIKey of N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is LKMLVOABQRTRGE-NXVVXOECSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-5-8-17-13-7-6-12(10(2)3)9-14(13)19-15(17)16-11(4)18/h6-7,9-10H,5,8H2,1-4H3/b16-15-.
What are the key properties of N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 276.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 7540608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).