N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide

C19H19ClN2OS — CID 43984617

IUPACN-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(C)c(C)c2)sc2cc(Cl)ccc21
InChIInChI=1S/C19H19ClN2OS/c1-4-9-22-16-8-7-15(20)11-17(16)24-19(22)21-18(23)14-6-5-12(2)13(3)10-14/h5-8,10-11H,4,9H2,1-3H3/b21-19-
InChIKeyBMVMCAHZVBBZDV-VZCXRCSSSA-N
MW358.89 g/mol
LogP5.12
Rot. Bonds3

About N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide

N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide (PubChem CID 43984617) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
PubChem CID43984617
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC NameN-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(C)c(C)c2)sc2cc(Cl)ccc21
InChIInChI=1S/C19H19ClN2OS/c1-4-9-22-16-8-7-15(20)11-17(16)24-19(22)21-18(23)14-6-5-12(2)13(3)10-14/h5-8,10-11H,4,9H2,1-3H3/b21-19-
InChIKeyBMVMCAHZVBBZDV-VZCXRCSSSA-N
XLogP5.12
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.89
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 5185835
4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983945
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984663
2,5-dichloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983980
2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979791
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 40996721
N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 41001326
4-fluoro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983952
3-chloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 8612982
N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide
CID 4186877
4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984720
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide
CID 43984683

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
The IUPAC name of N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide (CID 43984617) is N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
The canonical SMILES for N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide is CCCn1/c(=N/C(=O)c2ccc(C)c(C)c2)sc2cc(Cl)ccc21.
What is the InChIKey of N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
The InChIKey is BMVMCAHZVBBZDV-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19ClN2OS/c1-4-9-22-16-8-7-15(20)11-17(16)24-19(22)21-18(23)14-6-5-12(2)13(3)10-14/h5-8,10-11H,4,9H2,1-3H3/b21-19-.
What are the key properties of N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide has a molecular weight of 358.89 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide is sourced from PubChem (CID 43984617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).