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

C17H21ClN2O3S — CID 25173807

IUPACN-[2-tert-butyl-4-(methoxymethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide
SMILESCOCc1cn(C(C)(C)C)s/c1=N/C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C17H21ClN2O3S/c1-17(2,3)20-9-11(10-22-4)16(24-20)19-15(21)13-8-12(18)6-7-14(13)23-5/h6-9H,10H2,1-5H3/b19-16+
InChIKeyJNTIYXSIQSMULX-KNTRCKAVSA-N
MW368.89 g/mol
LogP3.85
Rot. Bonds4

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

N-[2-tert-butyl-4-(methoxymethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide (PubChem CID 25173807) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is N-[2-tert-butyl-4-(methoxymethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-tert-butyl-4-(methoxymethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide
PubChem CID25173807
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC NameN-[2-tert-butyl-4-(methoxymethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide
SMILESCOCc1cn(C(C)(C)C)s/c1=N/C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C17H21ClN2O3S/c1-17(2,3)20-9-11(10-22-4)16(24-20)19-15(21)13-8-12(18)6-7-14(13)23-5/h6-9H,10H2,1-5H3/b19-16+
InChIKeyJNTIYXSIQSMULX-KNTRCKAVSA-N
XLogP3.85
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-(2,2,2-trifluoroethoxymethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide
CID 25173174
N-(2-tert-butyl-4-prop-2-enyl-1,2-thiazol-5-ylidene)-5-chloro-2-methoxybenzamide
CID 25173567
N-[2-tert-butyl-4-(3-cyanopropyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide
CID 25173809
N-[2-tert-butyl-4-[1-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide
CID 67316319
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-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide
CID 25173566
N-[5-acetyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-5-chloro-2-methoxybenzamide
CID 68623405
N-[5-tert-butyl-3-(2,2-dimethylpropyl)-1,3-thiazol-2-ylidene]-5-chloro-2-methoxybenzamide
CID 66851667
tert-butyl N-[2-tert-butyl-5-(5-chloro-2-methoxybenzoyl)imino-3-methyl-1,2-thiazol-4-yl]carbamate
CID 90747988
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 62789919

Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butyl-4-(methoxymethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[2-tert-butyl-4-(methoxymethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide (CID 25173807) is N-[2-tert-butyl-4-(methoxymethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[2-tert-butyl-4-(methoxymethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[2-tert-butyl-4-(methoxymethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide is COCc1cn(C(C)(C)C)s/c1=N/C(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of N-[2-tert-butyl-4-(methoxymethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide?
The InChIKey is JNTIYXSIQSMULX-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-17(2,3)20-9-11(10-22-4)16(24-20)19-15(21)13-8-12(18)6-7-14(13)23-5/h6-9H,10H2,1-5H3/b19-16+.
What are the key properties of N-[2-tert-butyl-4-(methoxymethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide?
N-[2-tert-butyl-4-(methoxymethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide has a molecular weight of 368.89 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butyl-4-(methoxymethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 25173807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).