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

C20H22N2OS — CID 43984193

IUPACN-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccccc2)sc2cc(C(C)C)ccc21
InChIInChI=1S/C20H22N2OS/c1-4-12-22-17-11-10-16(14(2)3)13-18(17)24-20(22)21-19(23)15-8-6-5-7-9-15/h5-11,13-14H,4,12H2,1-3H3/b21-20-
InChIKeyAZLHJAOSJOUZSK-MRCUWXFGSA-N
MW338.48 g/mol
LogP4.98
Rot. Bonds4

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

N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43984193) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound NameN-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID43984193
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC NameN-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccccc2)sc2cc(C(C)C)ccc21
InChIInChI=1S/C20H22N2OS/c1-4-12-22-17-11-10-16(14(2)3)13-18(17)24-20(22)21-19(23)15-8-6-5-7-9-15/h5-11,13-14H,4,12H2,1-3H3/b21-20-
InChIKeyAZLHJAOSJOUZSK-MRCUWXFGSA-N
XLogP4.98
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984270
4-acetyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984224
4-(dimethylamino)-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984292
N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540608
N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 43984213
4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984866
4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984132
4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984720
N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984403
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984663
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984529
methyl 2-[2-(3-methylbenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate
CID 40997163

Frequently Asked Questions

What is the IUPAC name of N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43984193) is N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCn1/c(=N/C(=O)c2ccccc2)sc2cc(C(C)C)ccc21.
What is the InChIKey of N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is AZLHJAOSJOUZSK-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-4-12-22-17-11-10-16(14(2)3)13-18(17)24-20(22)21-19(23)15-8-6-5-7-9-15/h5-11,13-14H,4,12H2,1-3H3/b21-20-.
What are the key properties of N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 338.48 g/mol, XLogP of 4.98, 4 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)benzamide is sourced from PubChem (CID 43984193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).