4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

C21H25N3OS — CID 43984153

IUPAC4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(N(C)C)cc2)sc2cc(CC)ccc21
InChIInChI=1S/C21H25N3OS/c1-5-13-24-18-12-7-15(6-2)14-19(18)26-21(24)22-20(25)16-8-10-17(11-9-16)23(3)4/h7-12,14H,5-6,13H2,1-4H3/b22-21-
InChIKeyKIHVNMWHPKMPMQ-DQRAZIAOSA-N
MW367.52 g/mol
LogP4.48
Rot. Bonds5

About 4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43984153) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID43984153
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(N(C)C)cc2)sc2cc(CC)ccc21
InChIInChI=1S/C21H25N3OS/c1-5-13-24-18-12-7-15(6-2)14-19(18)26-21(24)22-20(25)16-8-10-17(11-9-16)23(3)4/h7-12,14H,5-6,13H2,1-4H3/b22-21-
InChIKeyKIHVNMWHPKMPMQ-DQRAZIAOSA-N
XLogP4.48
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984091
4-(dimethylamino)-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984292
4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984132
4-(dimethylamino)-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 8612961
N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide
CID 40697354
4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984161
methyl 2-[6-butyl-2-[4-(dimethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 40997015
4-[butyl(ethyl)sulfamoyl]-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984160
4-(dimethylamino)-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide
CID 3304373
4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984720
methyl 2-[4-(dimethylamino)benzoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate
CID 4164140
4-(dimethylamino)-N-[3-(2-ethoxyethyl)-6-fluoro-1,3-benzothiazol-2-ylidene]benzamide
CID 4685853

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43984153) is 4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCn1/c(=N/C(=O)c2ccc(N(C)C)cc2)sc2cc(CC)ccc21.
What is the InChIKey of 4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is KIHVNMWHPKMPMQ-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-5-13-24-18-12-7-15(6-2)14-19(18)26-21(24)22-20(25)16-8-10-17(11-9-16)23(3)4/h7-12,14H,5-6,13H2,1-4H3/b22-21-.
What are the key properties of 4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 367.52 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43984153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).