N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-methylbenzamide

C17H21ClN2OS — CID 59865770

IUPACN-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)/N=c1/sc(C(C)(C)C)c(C)n1C
InChIInChI=1S/C17H21ClN2OS/c1-10-12(8-7-9-13(10)18)15(21)19-16-20(6)11(2)14(22-16)17(3,4)5/h7-9H,1-6H3/b19-16+
InChIKeyMIAZVDHRAIOODI-KNTRCKAVSA-N
MW336.89 g/mol
LogP4.40
Rot. Bonds1

About N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-methylbenzamide

N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-methylbenzamide (PubChem CID 59865770) has the molecular formula C17H21ClN2OS and a molecular weight of 336.89 g/mol. Its IUPAC name is N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-methylbenzamide
PubChem CID59865770
Molecular FormulaC17H21ClN2OS
Molecular Weight336.89 g/mol
Exact Mass336.11
IUPAC NameN-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)/N=c1/sc(C(C)(C)C)c(C)n1C
InChIInChI=1S/C17H21ClN2OS/c1-10-12(8-7-9-13(10)18)15(21)19-16-20(6)11(2)14(22-16)17(3,4)5/h7-9H,1-6H3/b19-16+
InChIKeyMIAZVDHRAIOODI-KNTRCKAVSA-N
XLogP4.40
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-methylbenzamide?
The IUPAC name of N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-methylbenzamide (CID 59865770) is N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-methylbenzamide.
What is the SMILES notation for N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-methylbenzamide?
The canonical SMILES for N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)/N=c1/sc(C(C)(C)C)c(C)n1C.
What is the InChIKey of N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-methylbenzamide?
The InChIKey is MIAZVDHRAIOODI-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H21ClN2OS/c1-10-12(8-7-9-13(10)18)15(21)19-16-20(6)11(2)14(22-16)17(3,4)5/h7-9H,1-6H3/b19-16+.
What are the key properties of N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-methylbenzamide?
N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-methylbenzamide has a molecular weight of 336.89 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-methylbenzamide is sourced from PubChem (CID 59865770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).