N-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide

C20H25ClN2O2S — CID 25173566

IUPACN-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide
SMILESCCCCc1cn(C2(C)CCC2)s/c1=N\C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C20H25ClN2O2S/c1-4-5-7-14-13-23(20(2)10-6-11-20)26-19(14)22-18(24)16-12-15(21)8-9-17(16)25-3/h8-9,12-13H,4-7,10-11H2,1-3H3/b22-19-
InChIKeyOTRZLOYNRQUPFL-QOCHGBHMSA-N
MW392.95 g/mol
LogP5.19
Rot. Bonds6

About N-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide

N-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide (PubChem CID 25173566) has the molecular formula C20H25ClN2O2S and a molecular weight of 392.95 g/mol. Its IUPAC name is N-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide
PubChem CID25173566
Molecular FormulaC20H25ClN2O2S
Molecular Weight392.95 g/mol
Exact Mass392.13
IUPAC NameN-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide
SMILESCCCCc1cn(C2(C)CCC2)s/c1=N\C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C20H25ClN2O2S/c1-4-5-7-14-13-23(20(2)10-6-11-20)26-19(14)22-18(24)16-12-15(21)8-9-17(16)25-3/h8-9,12-13H,4-7,10-11H2,1-3H3/b22-19-
InChIKeyOTRZLOYNRQUPFL-QOCHGBHMSA-N
XLogP5.19
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.95
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-tert-butyl-4-(2-hydroxyethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide
CID 25173571
N-[2-tert-butyl-4-(3-cyanopropyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide
CID 25173809
N-[2-tert-butyl-4-(methoxymethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide
CID 25173807
N-(4-butyl-2-tert-butyl-1,2-thiazol-5-ylidene)-5-chloro-2-fluorobenzamide
CID 25174034
N-(4-butyl-2-tert-butyl-1,2-thiazol-5-ylidene)-5-cyano-2-methoxybenzamide
CID 25173804
N-(2-tert-butyl-4-prop-2-enyl-1,2-thiazol-5-ylidene)-5-chloro-2-methoxybenzamide
CID 25173567
N-(3-butyl-5-ethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide
CID 24963879
N-(3-butyl-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide
CID 67280856
N-[2-tert-butyl-4-(2,2,2-trifluoroethoxymethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide
CID 25173174
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721
N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide
CID 24963528

Frequently Asked Questions

What is the IUPAC name of N-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide (CID 25173566) is N-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide is CCCCc1cn(C2(C)CCC2)s/c1=N\C(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of N-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide?
The InChIKey is OTRZLOYNRQUPFL-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H25ClN2O2S/c1-4-5-7-14-13-23(20(2)10-6-11-20)26-19(14)22-18(24)16-12-15(21)8-9-17(16)25-3/h8-9,12-13H,4-7,10-11H2,1-3H3/b22-19-.
What are the key properties of N-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide?
N-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide has a molecular weight of 392.95 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 25173566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).